5-amino-3-(benzenesulfonyl)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide

C18H15ClN2O3S2 — CID 70129891

IUPAC5-amino-3-(benzenesulfonyl)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1c(N)sc(C(=O)Nc2cccc(Cl)c2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15ClN2O3S2/c1-11-16(26(23,24)14-8-3-2-4-9-14)15(25-17(11)20)18(22)21-13-7-5-6-12(19)10-13/h2-10H,20H2,1H3,(H,21,22)
InChIKeyIEAPSUZVRDRPBQ-UHFFFAOYSA-N
MW406.92 g/mol
LogP4.38
Rot. Bonds4

About 5-amino-3-(benzenesulfonyl)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide

5-amino-3-(benzenesulfonyl)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide (PubChem CID 70129891) has the molecular formula C18H15ClN2O3S2 and a molecular weight of 406.92 g/mol. Its IUPAC name is 5-amino-3-(benzenesulfonyl)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-3-(benzenesulfonyl)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide
PubChem CID70129891
Molecular FormulaC18H15ClN2O3S2
Molecular Weight406.92 g/mol
Exact Mass406.02
IUPAC Name5-amino-3-(benzenesulfonyl)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide
SMILESCc1c(N)sc(C(=O)Nc2cccc(Cl)c2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15ClN2O3S2/c1-11-16(26(23,24)14-8-3-2-4-9-14)15(25-17(11)20)18(22)21-13-7-5-6-12(19)10-13/h2-10H,20H2,1H3,(H,21,22)
InChIKeyIEAPSUZVRDRPBQ-UHFFFAOYSA-N
XLogP4.38
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonamido)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide
CID 70129893
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116668442
N-(3-chlorophenyl)-5-methylthiophene-2-carboxamide
CID 4810608
N-(3-chlorophenyl)acetamide;N-phenylacetamide
CID 160915382
N-(3-chlorophenyl)-3-[(4-chlorophenyl)sulfonylamino]-4-methylthiophene-2-carboxamide
CID 70122226
4-amino-N-(3-chlorophenyl)-3-methylbenzamide
CID 16785313
N-(3-chlorophenyl)-3-phenylthiophene-2-carboxamide
CID 26719726
5-(benzenesulfonamido)-2-chloro-N-(3-chlorophenyl)benzamide
CID 92674550
1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea
CID 4085959
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(benzenesulfonyl)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-amino-3-(benzenesulfonyl)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide (CID 70129891) is 5-amino-3-(benzenesulfonyl)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-amino-3-(benzenesulfonyl)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-amino-3-(benzenesulfonyl)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide is Cc1c(N)sc(C(=O)Nc2cccc(Cl)c2)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-amino-3-(benzenesulfonyl)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide?
The InChIKey is IEAPSUZVRDRPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S2/c1-11-16(26(23,24)14-8-3-2-4-9-14)15(25-17(11)20)18(22)21-13-7-5-6-12(19)10-13/h2-10H,20H2,1H3,(H,21,22).
What are the key properties of 5-amino-3-(benzenesulfonyl)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide?
5-amino-3-(benzenesulfonyl)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide has a molecular weight of 406.92 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(benzenesulfonyl)-N-(3-chlorophenyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 70129891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).