6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide

C13H10Cl2N4O3S — CID 175471384

IUPAC6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide
SMILESCOc1cnc(-n2cc(S(N)(=O)=O)c3ccc(Cl)cc32)nc1Cl
InChIInChI=1S/C13H10Cl2N4O3S/c1-22-10-5-17-13(18-12(10)15)19-6-11(23(16,20)21)8-3-2-7(14)4-9(8)19/h2-6H,1H3,(H2,16,20,21)
InChIKeyNORGXBFCMHBNPV-UHFFFAOYSA-N
MW373.22 g/mol
LogP2.38
Rot. Bonds3

About 6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide

6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide (PubChem CID 175471384) has the molecular formula C13H10Cl2N4O3S and a molecular weight of 373.22 g/mol. Its IUPAC name is 6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide
PubChem CID175471384
Molecular FormulaC13H10Cl2N4O3S
Molecular Weight373.22 g/mol
Exact Mass371.99
IUPAC Name6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide
SMILESCOc1cnc(-n2cc(S(N)(=O)=O)c3ccc(Cl)cc32)nc1Cl
InChIInChI=1S/C13H10Cl2N4O3S/c1-22-10-5-17-13(18-12(10)15)19-6-11(23(16,20)21)8-3-2-7(14)4-9(8)19/h2-6H,1H3,(H2,16,20,21)
InChIKeyNORGXBFCMHBNPV-UHFFFAOYSA-N
XLogP2.38
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-1-[5-(cyanomethoxy)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide
CID 175471157
1-[5-bromo-4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide
CID 175471127
6-chloro-1-[5-(3,3-difluoropropyl)-4,6-dimethoxypyrimidin-2-yl]indole-3-sulfonamide
CID 175471323
1-[5-bromo-4-(cyclopropylmethyl)-6-methoxypyrimidin-2-yl]-6-chloroindole-3-sulfonamide
CID 175471319
6-chloro-1-[4-cyclopropyl-5-(2,2-difluoroethyl)-6-methoxypyrimidin-2-yl]indole-3-sulfonamide
CID 175471120
6-chloro-1-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]-7-(difluoromethoxy)indole-3-sulfonamide
CID 175471111
6-chloro-7-cyclopropyl-1-[5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-yl]indole-3-sulfonamide
CID 175471099
7-chloro-1-methyl-2-oxoquinoline-4-sulfonyl chloride
CID 170733582
2-[1-(2-bromo-4-methoxyphenyl)sulfonyl-6-chloroindol-3-yl]oxy-N,N-dimethylethanamine
CID 68693045
6-chloro-1,4-dimethoxy-10-methylacridin-9-one
CID 102061426
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
5-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 53490701

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide?
The IUPAC name of 6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide (CID 175471384) is 6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide.
What is the SMILES notation for 6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide?
The canonical SMILES for 6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide is COc1cnc(-n2cc(S(N)(=O)=O)c3ccc(Cl)cc32)nc1Cl.
What is the InChIKey of 6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide?
The InChIKey is NORGXBFCMHBNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O3S/c1-22-10-5-17-13(18-12(10)15)19-6-11(23(16,20)21)8-3-2-7(14)4-9(8)19/h2-6H,1H3,(H2,16,20,21).
What are the key properties of 6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide?
6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide has a molecular weight of 373.22 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-chloro-5-methoxypyrimidin-2-yl)indole-3-sulfonamide is sourced from PubChem (CID 175471384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).