2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide

C21H16Cl2N2O2S — CID 174552416

IUPAC2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide
SMILESCc1[nH]c2ccccc2c1-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C21H16Cl2N2O2S/c1-13-20(16-5-2-3-7-18(16)24-13)14-9-11-15(12-10-14)25-28(26,27)19-8-4-6-17(22)21(19)23/h2-12,24-25H,1H3
InChIKeyYLVWMGACPTZAPD-UHFFFAOYSA-N
MW431.34 g/mol
LogP6.25
Rot. Bonds4

About 2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide

2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide (PubChem CID 174552416) has the molecular formula C21H16Cl2N2O2S and a molecular weight of 431.34 g/mol. Its IUPAC name is 2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide
PubChem CID174552416
Molecular FormulaC21H16Cl2N2O2S
Molecular Weight431.34 g/mol
Exact Mass430.03
IUPAC Name2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide
SMILESCc1[nH]c2ccccc2c1-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C21H16Cl2N2O2S/c1-13-20(16-5-2-3-7-18(16)24-13)14-9-11-15(12-10-14)25-28(26,27)19-8-4-6-17(22)21(19)23/h2-12,24-25H,1H3
InChIKeyYLVWMGACPTZAPD-UHFFFAOYSA-N
XLogP6.25
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.34
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide (CID 174552416) is 2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide is Cc1[nH]c2ccccc2c1-c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide?
The InChIKey is YLVWMGACPTZAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O2S/c1-13-20(16-5-2-3-7-18(16)24-13)14-9-11-15(12-10-14)25-28(26,27)19-8-4-6-17(22)21(19)23/h2-12,24-25H,1H3.
What are the key properties of 2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide?
2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide has a molecular weight of 431.34 g/mol, XLogP of 6.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 174552416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).