N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide

C15H18N2O2S2 — CID 62841074

IUPACN-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NC2CCCc3sccc32)c1
InChIInChI=1S/C15H18N2O2S2/c1-16-21(18,19)12-5-2-4-11(10-12)17-14-6-3-7-15-13(14)8-9-20-15/h2,4-5,8-10,14,16-17H,3,6-7H2,1H3
InChIKeyHROFDNUKVZVZGU-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.15
Rot. Bonds4

About N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide

N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide (PubChem CID 62841074) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide
PubChem CID62841074
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC NameN-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NC2CCCc3sccc32)c1
InChIInChI=1S/C15H18N2O2S2/c1-16-21(18,19)12-5-2-4-11(10-12)17-14-6-3-7-15-13(14)8-9-20-15/h2,4-5,8-10,14,16-17H,3,6-7H2,1H3
InChIKeyHROFDNUKVZVZGU-UHFFFAOYSA-N
XLogP3.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(methoxymethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841936
methyl N-[3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]carbamate
CID 62841091
N-[3-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63419222
N-(3-pyrrol-1-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63445840
2-methyl-4-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzene-1,4-diamine
CID 62840971
N-methyl-3-(methylamino)benzenesulfonamide
CID 63089854
1-[4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)phenyl]ethanone
CID 114468225
N-methyl-3-(thian-3-ylamino)benzenesulfonamide
CID 62871608
N-(3-chloro-4-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122390
4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzoic acid
CID 62841761
N-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 55122146
4-amino-3-chloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzenesulfonamide
CID 115330040

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide?
The IUPAC name of N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide (CID 62841074) is N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide?
The canonical SMILES for N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide is CNS(=O)(=O)c1cccc(NC2CCCc3sccc32)c1.
What is the InChIKey of N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide?
The InChIKey is HROFDNUKVZVZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-16-21(18,19)12-5-2-4-11(10-12)17-14-6-3-7-15-13(14)8-9-20-15/h2,4-5,8-10,14,16-17H,3,6-7H2,1H3.
What are the key properties of N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide?
N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide has a molecular weight of 322.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)benzenesulfonamide is sourced from PubChem (CID 62841074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).