2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide

C16H13ClN2O3S — CID 21316646

IUPAC2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide
SMILESCn1c(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc2ccccc21
InChIInChI=1S/C16H13ClN2O3S/c1-19-13-5-3-2-4-10(13)8-14(19)16(20)11-6-7-12(17)15(9-11)23(18,21)22/h2-9H,1H3,(H2,18,21,22)
InChIKeyAQWYMJCXJPVRRB-UHFFFAOYSA-N
MW348.81 g/mol
LogP2.71
Rot. Bonds3

About 2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide

2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide (PubChem CID 21316646) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide
PubChem CID21316646
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Name2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide
SMILESCn1c(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc2ccccc21
InChIInChI=1S/C16H13ClN2O3S/c1-19-13-5-3-2-4-10(13)8-14(19)16(20)11-6-7-12(17)15(9-11)23(18,21)22/h2-9H,1H3,(H2,18,21,22)
InChIKeyAQWYMJCXJPVRRB-UHFFFAOYSA-N
XLogP2.71
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(1,2-dimethylindole-3-carbonyl)benzenesulfonamide
CID 21316638
2-chloro-5-(1-methylindole-5-carbonyl)benzenesulfonamide
CID 58107434
2-(4-chloro-3-sulfamoylbenzoyl)benzamide
CID 12850058
2-chloro-5-(4-pyrrolidin-1-ylbenzoyl)benzenesulfonamide
CID 58107415
4-chloro-N-methyl-3-sulfamoylbenzamide
CID 60637185
2-chloro-5-[4-(4-fluorophenyl)benzoyl]benzenesulfonamide
CID 58107414
2-chloro-5-[4-(diethylamino)benzoyl]benzenesulfonamide
CID 58107394
ethyl 4-chloro-3-sulfamoylbenzoate
CID 15938945
5-(2-bromopropanoyl)-2-chlorobenzenesulfonamide
CID 22756393
(5-aminofuran-2-yl)-(1-methylindol-2-yl)methanone
CID 82374139
2-chloro-5-(2-fluoro-6-phenylbenzoyl)benzenesulfonamide
CID 141249458
3-amino-2-(4-chloro-3-sulfamoylbenzoyl)-4-hydrazinylbenzoic acid
CID 152740406

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide (CID 21316646) is 2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide is Cn1c(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc2ccccc21.
What is the InChIKey of 2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide?
The InChIKey is AQWYMJCXJPVRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-19-13-5-3-2-4-10(13)8-14(19)16(20)11-6-7-12(17)15(9-11)23(18,21)22/h2-9H,1H3,(H2,18,21,22).
What are the key properties of 2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide?
2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide has a molecular weight of 348.81 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-methylindole-2-carbonyl)benzenesulfonamide is sourced from PubChem (CID 21316646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).