N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide

C18H20N2O2S2 — CID 113097394

IUPACN,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCc3[nH]c4ccccc4c3C2)s1
InChIInChI=1S/C18H20N2O2S2/c1-12-7-10-18(23-12)24(21,22)20(2)13-8-9-17-15(11-13)14-5-3-4-6-16(14)19-17/h3-7,10,13,19H,8-9,11H2,1-2H3
InChIKeyFFPYEGLWLUYCKW-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.72
Rot. Bonds3

About N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide

N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide (PubChem CID 113097394) has the molecular formula C18H20N2O2S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide
PubChem CID113097394
Molecular FormulaC18H20N2O2S2
Molecular Weight360.50 g/mol
Exact Mass360.10
IUPAC NameN,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C2CCc3[nH]c4ccccc4c3C2)s1
InChIInChI=1S/C18H20N2O2S2/c1-12-7-10-18(23-12)24(21,22)20(2)13-8-9-17-15(11-13)14-5-3-4-6-16(14)19-17/h3-7,10,13,19H,8-9,11H2,1-2H3
InChIKeyFFPYEGLWLUYCKW-UHFFFAOYSA-N
XLogP3.72
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
4-tert-butyl-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 113097405
N-methyl-4-nitro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzenesulfonamide
CID 170652555
N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 113097309
N,3,4-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097328
N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanesulfonamide
CID 113096584
5-ethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide
CID 113096612
2,6-dimethoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097327
ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate
CID 12891788
(3S)-3-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 124507658
3-methoxy-N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097324
N-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 169084126

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide (CID 113097394) is N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)N(C)C2CCc3[nH]c4ccccc4c3C2)s1.
What is the InChIKey of N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is FFPYEGLWLUYCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S2/c1-12-7-10-18(23-12)24(21,22)20(2)13-8-9-17-15(11-13)14-5-3-4-6-16(14)19-17/h3-7,10,13,19H,8-9,11H2,1-2H3.
What are the key properties of N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide?
N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 360.50 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 113097394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).