N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)benzenesulfonamide

C31H30N8O2S — CID 132527582

IUPACN-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)benzenesulfonamide
SMILESCN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(c2NS(=O)(=O)c2ccccc2)N(C)c2cccc1n2
InChIInChI=1S/C31H30N8O2S/c1-36-23-14-8-15-24(31(23)35-42(40,41)22-12-6-5-7-13-22)37(2)26-17-10-19-28(33-26)39(4)30-21-11-20-29(34-30)38(3)27-18-9-16-25(36)32-27/h5-21,35H,1-4H3
InChIKeyQCHMBTKJFDYMKD-UHFFFAOYSA-N
MW578.70 g/mol
LogP6.06
Rot. Bonds3

About N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)benzenesulfonamide

N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)benzenesulfonamide (PubChem CID 132527582) has the molecular formula C31H30N8O2S and a molecular weight of 578.70 g/mol. Its IUPAC name is N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)benzenesulfonamide
PubChem CID132527582
Molecular FormulaC31H30N8O2S
Molecular Weight578.70 g/mol
Exact Mass578.22
IUPAC NameN-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)benzenesulfonamide
SMILESCN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(c2NS(=O)(=O)c2ccccc2)N(C)c2cccc1n2
InChIInChI=1S/C31H30N8O2S/c1-36-23-14-8-15-24(31(23)35-42(40,41)22-12-6-5-7-13-22)37(2)26-17-10-19-28(33-26)39(4)30-21-11-20-29(34-30)38(3)27-18-9-16-25(36)32-27/h5-21,35H,1-4H3
InChIKeyQCHMBTKJFDYMKD-UHFFFAOYSA-N
XLogP6.06
TPSA97.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.70
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)benzenesulfonamide with MolForge

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Related Compounds

N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)methanesulfonamide
CID 132527581
N-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide
CID 164941165
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
N-[5-(benzenesulfonamido)naphthalen-1-yl]benzenesulfonamide
CID 3389796
6-(benzenesulfonamido)pyridine-2-carboxylic acid
CID 5263740
N-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 71935895
N-[2,6-bis(methylsulfonyl)pyrimidin-4-yl]benzenesulfonamide
CID 69485477
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-[5-(benzenesulfonamido)-7,7-diphenyl-2-bicyclo[4.1.0]hepta-1,3,5-trienyl]benzenesulfonamide
CID 134865952
N-(2,6-dibromo-4-methylphenyl)benzenesulfonamide
CID 60640316
3-methylsulfonyl-N-phenylbenzenesulfonamide
CID 6461889
N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 3370012

Frequently Asked Questions

What is the IUPAC name of N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)benzenesulfonamide?
The IUPAC name of N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)benzenesulfonamide (CID 132527582) is N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)benzenesulfonamide?
The canonical SMILES for N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)benzenesulfonamide is CN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(c2NS(=O)(=O)c2ccccc2)N(C)c2cccc1n2.
What is the InChIKey of N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)benzenesulfonamide?
The InChIKey is QCHMBTKJFDYMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N8O2S/c1-36-23-14-8-15-24(31(23)35-42(40,41)22-12-6-5-7-13-22)37(2)26-17-10-19-28(33-26)39(4)30-21-11-20-29(34-30)38(3)27-18-9-16-25(36)32-27/h5-21,35H,1-4H3.
What are the key properties of N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)benzenesulfonamide?
N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)benzenesulfonamide has a molecular weight of 578.70 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8,14,20-tetramethyl-2,8,14,20,25,26,27-heptazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-28-yl)benzenesulfonamide is sourced from PubChem (CID 132527582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).