N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide

C29H26Br2N2O4S — CID 72696610

IUPACN-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1cccc(N(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C29H26Br2N2O4S/c1-19-6-10-25(11-7-19)38(35,36)33(22-4-3-5-24(16-22)37-2)18-23(34)17-32-28-12-8-20(30)14-26(28)27-15-21(31)9-13-29(27)32/h3-16,23,34H,17-18H2,1-2H3
InChIKeyJVTOZYKYOKCQBK-UHFFFAOYSA-N
MW658.41 g/mol
LogP6.89
Rot. Bonds8

About N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide

N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 72696610) has the molecular formula C29H26Br2N2O4S and a molecular weight of 658.41 g/mol. Its IUPAC name is N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID72696610
Molecular FormulaC29H26Br2N2O4S
Molecular Weight658.41 g/mol
Exact Mass656.00
IUPAC NameN-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1cccc(N(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C29H26Br2N2O4S/c1-19-6-10-25(11-7-19)38(35,36)33(22-4-3-5-24(16-22)37-2)18-23(34)17-32-28-12-8-20(30)14-26(28)27-15-21(31)9-13-29(27)32/h3-16,23,34H,17-18H2,1-2H3
InChIKeyJVTOZYKYOKCQBK-UHFFFAOYSA-N
XLogP6.89
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.41
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,6-Dibromocarbazol-9-yl)-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
CID 9938353
6-bromo-9-(4-methoxyphenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
CID 16222654
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2908002
(R)-1-(3,6-dibromo-9H-carbazol-9-yl)-3-((3-methoxyphenyl)amino)propan-2-ol
CID 1100216
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 3822887
(3-Carbazol-9-yl-2-hydroxypropyl)(2-methoxyphenyl)(phenylsulfonyl)amine
CID 3727169
N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methoxy-N-phenylbenzenesulfonamide
CID 145969138
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 145973319
N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 145975195
N-benzyl-N-(3-carbazol-9-yl-2-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 145975379
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 145978056
P7C3-OMe
CID 3103961

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide (CID 72696610) is N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide is COc1cccc(N(CC(O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is JVTOZYKYOKCQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Br2N2O4S/c1-19-6-10-25(11-7-19)38(35,36)33(22-4-3-5-24(16-22)37-2)18-23(34)17-32-28-12-8-20(30)14-26(28)27-15-21(31)9-13-29(27)32/h3-16,23,34H,17-18H2,1-2H3.
What are the key properties of N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide?
N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 658.41 g/mol, XLogP of 6.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,6-dibromocarbazol-9-yl)-2-hydroxypropyl]-N-(3-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 72696610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).