N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide

C20H21ClN2O2S — CID 113097011

IUPACN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1
InChIInChI=1S/C20H21ClN2O2S/c1-2-13-3-7-16(8-4-13)26(24,25)23-15-6-10-20-18(12-15)17-11-14(21)5-9-19(17)22-20/h3-5,7-9,11,15,22-23H,2,6,10,12H2,1H3
InChIKeyCTWCIKUKNQFEBX-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.22
Rot. Bonds4

About N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide

N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide (PubChem CID 113097011) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide
PubChem CID113097011
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC NameN-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NC2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1
InChIInChI=1S/C20H21ClN2O2S/c1-2-13-3-7-16(8-4-13)26(24,25)23-15-6-10-20-18(12-15)17-11-14(21)5-9-19(17)22-20/h3-5,7-9,11,15,22-23H,2,6,10,12H2,1H3
InChIKeyCTWCIKUKNQFEBX-UHFFFAOYSA-N
XLogP4.22
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097097
4-methyl-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096912
4-methoxy-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097093
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097090
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
3,4-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096590
3-chloro-4-methoxy-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113096614
N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-[4-(2,3,4,9-tetrahydro-1H-carbazol-3-ylsulfamoyl)phenoxy]benzenesulfonamide
CID 44759054
1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
CID 113096999
(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl) 4-methylbenzenesulfonate
CID 23470301
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)propane-1-sulfonamide
CID 113097087
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbenzenesulfonamide
CID 113097106

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide?
The IUPAC name of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide (CID 113097011) is N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide?
The canonical SMILES for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NC2CCc3[nH]c4ccc(Cl)cc4c3C2)cc1.
What is the InChIKey of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide?
The InChIKey is CTWCIKUKNQFEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-2-13-3-7-16(8-4-13)26(24,25)23-15-6-10-20-18(12-15)17-11-14(21)5-9-19(17)22-20/h3-5,7-9,11,15,22-23H,2,6,10,12H2,1H3.
What are the key properties of N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide?
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide has a molecular weight of 388.92 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 113097011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).