N-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide

C25H23F3N2O4S — CID 123621586

IUPACN-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC(n2c3ccccc3c3ccccc32)C1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H23F3N2O4S/c26-25(27,28)34-16-12-14-17(15-13-16)35(32,33)29-20-8-5-11-23(24(20)31)30-21-9-3-1-6-18(21)19-7-2-4-10-22(19)30/h1-4,6-7,9-10,12-15,20,23-24,29,31H,5,8,11H2
InChIKeyQXJHORIEWIEORM-UHFFFAOYSA-N
MW504.53 g/mol
LogP5.13
Rot. Bonds5

About N-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide

N-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 123621586) has the molecular formula C25H23F3N2O4S and a molecular weight of 504.53 g/mol. Its IUPAC name is N-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID123621586
Molecular FormulaC25H23F3N2O4S
Molecular Weight504.53 g/mol
Exact Mass504.13
IUPAC NameN-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC(n2c3ccccc3c3ccccc32)C1O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C25H23F3N2O4S/c26-25(27,28)34-16-12-14-17(15-13-16)35(32,33)29-20-8-5-11-23(24(20)31)30-21-9-3-1-6-18(21)19-7-2-4-10-22(19)30/h1-4,6-7,9-10,12-15,20,23-24,29,31H,5,8,11H2
InChIKeyQXJHORIEWIEORM-UHFFFAOYSA-N
XLogP5.13
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.53
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)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

N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(4-methoxyphenyl)methanesulfonamide
CID 2888752
N-[5-(5-fluoro-3-methylindol-1-yl)sulfonyl-2-methoxyphenyl]-1-methylpiperidin-4-amine
CID 71451924
9-(4-methoxyphenyl)sulfonyl-N,N-dimethyl-1,2,3,4-tetrahydrocarbazol-3-amine
CID 16222548
US9974785, Example 8
CID 118654355
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2908002
N-(9-ethylcarbazol-3-yl)-3-methoxybenzenesulfonamide
CID 16090502
N-(3-amino-4-methoxyphenyl)-9-ethylcarbazole-3-sulfonamide
CID 16090515
N-[3-(9H-carbazol-9-yl)-2-hydroxypropyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 3822887
1-Carbazol-9-yl-3-(2-methoxy-phenylamino)-propan-2-ol
CID 3101121
(3-Carbazol-9-yl-2-hydroxypropyl)(2-methoxyphenyl)(phenylsulfonyl)amine
CID 3727169
N-[(1,2-dimethyl-5-indolyl)methyl]-4-methoxybenzenesulfonamide
CID 4155588
3-[6-(4-Phenoxy-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-propionic acid
CID 44390248

Frequently Asked Questions

What is the IUPAC name of N-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide (CID 123621586) is N-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC1CCCC(n2c3ccccc3c3ccccc32)C1O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is QXJHORIEWIEORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O4S/c26-25(27,28)34-16-12-14-17(15-13-16)35(32,33)29-20-8-5-11-23(24(20)31)30-21-9-3-1-6-18(21)19-7-2-4-10-22(19)30/h1-4,6-7,9-10,12-15,20,23-24,29,31H,5,8,11H2.
What are the key properties of N-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide?
N-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 504.53 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbazol-9-yl-2-hydroxycyclohexyl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 123621586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).