6-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-indole-2-carboxamide

C19H15ClN4OS — CID 55842402

IUPAC6-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-indole-2-carboxamide
SMILESCn1ccnc1Sc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C19H15ClN4OS/c1-24-9-8-21-19(24)26-15-6-4-14(5-7-15)22-18(25)17-10-12-2-3-13(20)11-16(12)23-17/h2-11,23H,1H3,(H,22,25)
InChIKeyXRCRWEMNWKNRKE-UHFFFAOYSA-N
MW382.88 g/mol
LogP4.96
Rot. Bonds4

About 6-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-indole-2-carboxamide

6-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-indole-2-carboxamide (PubChem CID 55842402) has the molecular formula C19H15ClN4OS and a molecular weight of 382.88 g/mol. Its IUPAC name is 6-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-indole-2-carboxamide
PubChem CID55842402
Molecular FormulaC19H15ClN4OS
Molecular Weight382.88 g/mol
Exact Mass382.07
IUPAC Name6-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-indole-2-carboxamide
SMILESCn1ccnc1Sc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C19H15ClN4OS/c1-24-9-8-21-19(24)26-15-6-4-14(5-7-15)22-18(25)17-10-12-2-3-13(20)11-16(12)23-17/h2-11,23H,1H3,(H,22,25)
InChIKeyXRCRWEMNWKNRKE-UHFFFAOYSA-N
XLogP4.96
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573
N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloro-1H-indole-2-carboxamide
CID 31862421
6-chloro-N-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxamide
CID 113207580
6-chloro-N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 113207612
ethyl N-[4-[(6-chloro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515896
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide
CID 55490455
3-chloro-6-fluoro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1-benzothiophene-2-carboxamide
CID 55497249
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide
CID 47138421
2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride
CID 119276286
2,5-dichloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 17394882
5-ethyl-4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]thiophene-2-carboxamide
CID 55491048
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide
CID 55498030

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-indole-2-carboxamide (CID 55842402) is 6-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-indole-2-carboxamide is Cn1ccnc1Sc1ccc(NC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 6-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-indole-2-carboxamide?
The InChIKey is XRCRWEMNWKNRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4OS/c1-24-9-8-21-19(24)26-15-6-4-14(5-7-15)22-18(25)17-10-12-2-3-13(20)11-16(12)23-17/h2-11,23H,1H3,(H,22,25).
What are the key properties of 6-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-indole-2-carboxamide?
6-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-indole-2-carboxamide has a molecular weight of 382.88 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55842402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).