6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide

C23H21ClN4O4S — CID 122449442

IUPAC6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide
SMILESCOc1ccc(Nc2ccc3c(C(=O)N(C)C)cn(S(=O)(=O)c4cccnc4)c3c2)c(Cl)c1
InChIInChI=1S/C23H21ClN4O4S/c1-27(2)23(29)19-14-28(33(30,31)17-5-4-10-25-13-17)22-11-15(6-8-18(19)22)26-21-9-7-16(32-3)12-20(21)24/h4-14,26H,1-3H3
InChIKeyDVPRZQUPKDIRPC-UHFFFAOYSA-N
MW484.97 g/mol
LogP4.38
Rot. Bonds6

About 6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide

6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide (PubChem CID 122449442) has the molecular formula C23H21ClN4O4S and a molecular weight of 484.97 g/mol. Its IUPAC name is 6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide.

Molecular Properties

Compound Name6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide
PubChem CID122449442
Molecular FormulaC23H21ClN4O4S
Molecular Weight484.97 g/mol
Exact Mass484.10
IUPAC Name6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide
SMILESCOc1ccc(Nc2ccc3c(C(=O)N(C)C)cn(S(=O)(=O)c4cccnc4)c3c2)c(Cl)c1
InChIInChI=1S/C23H21ClN4O4S/c1-27(2)23(29)19-14-28(33(30,31)17-5-4-10-25-13-17)22-11-15(6-8-18(19)22)26-21-9-7-16(32-3)12-20(21)24/h4-14,26H,1-3H3
InChIKeyDVPRZQUPKDIRPC-UHFFFAOYSA-N
XLogP4.38
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.97
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chloro-4-methoxyphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylindol-6-amine
CID 122449429
N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine
CID 174792289
methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate
CID 174792232
6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid
CID 134346754
2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline
CID 139794718
methyl 4-methoxy-1-pyridin-3-ylsulfonyl-5-(2,4,6-trifluorophenyl)pyrrole-3-carboxylate
CID 164883843
3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid
CID 134346877
3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride
CID 142724812
[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate
CID 134346738
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine
CID 69189190
6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole
CID 174792264

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide?
The IUPAC name of 6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide (CID 122449442) is 6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide.
What is the SMILES notation for 6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide?
The canonical SMILES for 6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide is COc1ccc(Nc2ccc3c(C(=O)N(C)C)cn(S(=O)(=O)c4cccnc4)c3c2)c(Cl)c1.
What is the InChIKey of 6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide?
The InChIKey is DVPRZQUPKDIRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O4S/c1-27(2)23(29)19-14-28(33(30,31)17-5-4-10-25-13-17)22-11-15(6-8-18(19)22)26-21-9-7-16(32-3)12-20(21)24/h4-14,26H,1-3H3.
What are the key properties of 6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide?
6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide has a molecular weight of 484.97 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide is sourced from PubChem (CID 122449442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).