4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide

C23H33N5O3S — CID 42361479

IUPAC4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2CCC(n3cc(C(=O)N4CCCC4)nn3)CC2)cc1
InChIInChI=1S/C23H33N5O3S/c1-23(2,3)17-6-12-20(13-7-17)32(30,31)25-18-8-10-19(11-9-18)28-16-21(24-26-28)22(29)27-14-4-5-15-27/h6-7,12-13,16,18-19,25H,4-5,8-11,14-15H2,1-3H3
InChIKeyDBMJNUVHNMLFSM-UHFFFAOYSA-N
MW459.62 g/mol
LogP3.27
Rot. Bonds5

About 4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide

4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide (PubChem CID 42361479) has the molecular formula C23H33N5O3S and a molecular weight of 459.62 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide
PubChem CID42361479
Molecular FormulaC23H33N5O3S
Molecular Weight459.62 g/mol
Exact Mass459.23
IUPAC Name4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)NC2CCC(n3cc(C(=O)N4CCCC4)nn3)CC2)cc1
InChIInChI=1S/C23H33N5O3S/c1-23(2,3)17-6-12-20(13-7-17)32(30,31)25-18-8-10-19(11-9-18)28-16-21(24-26-28)22(29)27-14-4-5-15-27/h6-7,12-13,16,18-19,25H,4-5,8-11,14-15H2,1-3H3
InChIKeyDBMJNUVHNMLFSM-UHFFFAOYSA-N
XLogP3.27
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566849
4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108564360
[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 26318869
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-4-ethylbenzenesulfonamide
CID 108565613
tert-butyl 3-[4-(aziridine-1-carbonyl)triazol-1-yl]piperidine-1-carboxylate
CID 103954440
(1-cyclohexyltriazol-4-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 56912845
4-tert-butyl-N-[1-(2-cyanoacetyl)piperidin-4-yl]benzenesulfonamide
CID 108563235
(1-cyclohexyltriazol-4-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 45191024
[1-(1-cyclopentylpiperidin-3-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 45215437
[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42501917
4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566073
methyl 4-[[4-(trifluoromethyl)phenyl]sulfonylamino]cyclohexane-1-carboxylate
CID 58291888

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide (CID 42361479) is 4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)NC2CCC(n3cc(C(=O)N4CCCC4)nn3)CC2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide?
The InChIKey is DBMJNUVHNMLFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3S/c1-23(2,3)17-6-12-20(13-7-17)32(30,31)25-18-8-10-19(11-9-18)28-16-21(24-26-28)22(29)27-14-4-5-15-27/h6-7,12-13,16,18-19,25H,4-5,8-11,14-15H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide?
4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide has a molecular weight of 459.62 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-[4-(pyrrolidine-1-carbonyl)triazol-1-yl]cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 42361479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).