4-chloro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide

C14H12ClN3O3S2 — CID 57476021

IUPAC4-chloro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide
SMILESCN(c1ccc(Cl)c2cc(C(N)=O)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H12ClN3O3S2/c1-18(23(20,21)12-3-2-6-22-12)11-5-4-9(15)8-7-10(14(16)19)17-13(8)11/h2-7,17H,1H3,(H2,16,19)
InChIKeyHAVAVRXGWHPIDQ-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.81
Rot. Bonds4

About 4-chloro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide

4-chloro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide (PubChem CID 57476021) has the molecular formula C14H12ClN3O3S2 and a molecular weight of 369.86 g/mol. Its IUPAC name is 4-chloro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide
PubChem CID57476021
Molecular FormulaC14H12ClN3O3S2
Molecular Weight369.86 g/mol
Exact Mass369.00
IUPAC Name4-chloro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide
SMILESCN(c1ccc(Cl)c2cc(C(N)=O)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H12ClN3O3S2/c1-18(23(20,21)12-3-2-6-22-12)11-5-4-9(15)8-7-10(14(16)19)17-13(8)11/h2-7,17H,1H3,(H2,16,19)
InChIKeyHAVAVRXGWHPIDQ-UHFFFAOYSA-N
XLogP2.81
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[propan-2-yl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide
CID 57475958
2-[2-ethyl-2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carbonyl]hydrazinyl]-2-oxoacetic acid
CID 67109307
N-(2-benzylsulfanyl-3,3-dimethoxypropyl)-4-methyl-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide
CID 59135744
N-carbamimidoyl-4-chloro-N-methyl-7-thiophen-2-yloxy-1H-indole-2-carboxamide
CID 54087363
ethyl 2-[2-[4-methyl-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-5-yl]acetate
CID 59136158
methyl 3-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100551743
N-methyl-N-[4-methyl-2-[5-(2-oxoethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
CID 89040216
N-[2-(4-amino-1,3-thiazol-2-yl)-4-methyl-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide;tert-butyl N-[2-[4-methyl-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-4-yl]carbamate
CID 159816894
ethyl 3-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100551805
methyl 2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-4,5-dihydro-1,3-thiazole-5-carboxylate
CID 57476138
5-[methyl(thiophen-2-ylsulfonyl)amino]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 142673156
(2,4-dichlorophenyl) 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 16560681

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide?
The IUPAC name of 4-chloro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide (CID 57476021) is 4-chloro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-chloro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide?
The canonical SMILES for 4-chloro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide is CN(c1ccc(Cl)c2cc(C(N)=O)[nH]c12)S(=O)(=O)c1cccs1.
What is the InChIKey of 4-chloro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide?
The InChIKey is HAVAVRXGWHPIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S2/c1-18(23(20,21)12-3-2-6-22-12)11-5-4-9(15)8-7-10(14(16)19)17-13(8)11/h2-7,17H,1H3,(H2,16,19).
What are the key properties of 4-chloro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide?
4-chloro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 57476021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).