9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine

C21H20N2O2S — CID 70676091

IUPAC9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine
SMILESCc1cc(N(C)C)c2c3ccccc3n(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C21H20N2O2S/c1-15-13-19(22(2)3)21-17-11-7-8-12-18(17)23(20(21)14-15)26(24,25)16-9-5-4-6-10-16/h4-14H,1-3H3
InChIKeyVDFKFULYYDTPRD-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.41
Rot. Bonds3

About 9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine

9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine (PubChem CID 70676091) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine.

Molecular Properties

Compound Name9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine
PubChem CID70676091
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine
SMILESCc1cc(N(C)C)c2c3ccccc3n(S(=O)(=O)c3ccccc3)c2c1
InChIInChI=1S/C21H20N2O2S/c1-15-13-19(22(2)3)21-17-11-7-8-12-18(17)23(20(21)14-15)26(24,25)16-9-5-4-6-10-16/h4-14H,1-3H3
InChIKeyVDFKFULYYDTPRD-UHFFFAOYSA-N
XLogP4.41
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(benzenesulfonyl)-4-methylcarbazole
CID 14594808
1-(benzenesulfonyl)-3-iodo-2-methylindole
CID 11538519
9-(benzenesulfonyl)carbazole-4-carbaldehyde
CID 14594814
1-(benzenesulfonyl)-2,3-bis(chloromethyl)indole
CID 10428188
[9-(benzenesulfonyl)carbazol-4-yl] acetate
CID 11257063
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
1-(benzenesulfonyl)-2-ethenyl-3-methylindole
CID 53243035
1-(benzenesulfonyl)-2-methylindole-3-carbonitrile
CID 139071665
tert-butyl 4-(benzenesulfonyl)-1,3-dimethylpyrrolo[3,4-b]indole-2-carboxylate
CID 11080394
methyl 5-(4-methylphenyl)sulfonyl-1-(2,4,6-trimethylphenyl)pyrido[4,3-b]indole-3-carboxylate
CID 44631751
N,N-dibenzyl-2-[3-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]ethanamine
CID 177394867

Frequently Asked Questions

What is the IUPAC name of 9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine?
The IUPAC name of 9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine (CID 70676091) is 9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine.
What is the SMILES notation for 9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine?
The canonical SMILES for 9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine is Cc1cc(N(C)C)c2c3ccccc3n(S(=O)(=O)c3ccccc3)c2c1.
What is the InChIKey of 9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine?
The InChIKey is VDFKFULYYDTPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-15-13-19(22(2)3)21-17-11-7-8-12-18(17)23(20(21)14-15)26(24,25)16-9-5-4-6-10-16/h4-14H,1-3H3.
What are the key properties of 9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine?
9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine has a molecular weight of 364.47 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(benzenesulfonyl)-N,N,2-trimethylcarbazol-4-amine is sourced from PubChem (CID 70676091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).