N-(3-chloro-1H-indol-7-yl)-2-(methanesulfonamido)benzenesulfonamide

C15H14ClN3O4S2 — CID 10597090

IUPACN-(3-chloro-1H-indol-7-yl)-2-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
InChIInChI=1S/C15H14ClN3O4S2/c1-24(20,21)18-12-6-2-3-8-14(12)25(22,23)19-13-7-4-5-10-11(16)9-17-15(10)13/h2-9,17-19H,1H3
InChIKeyLPTNTAAXZTVFRG-UHFFFAOYSA-N
MW399.88 g/mol
LogP2.99
Rot. Bonds5

About N-(3-chloro-1H-indol-7-yl)-2-(methanesulfonamido)benzenesulfonamide

N-(3-chloro-1H-indol-7-yl)-2-(methanesulfonamido)benzenesulfonamide (PubChem CID 10597090) has the molecular formula C15H14ClN3O4S2 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-(3-chloro-1H-indol-7-yl)-2-(methanesulfonamido)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-1H-indol-7-yl)-2-(methanesulfonamido)benzenesulfonamide
PubChem CID10597090
Molecular FormulaC15H14ClN3O4S2
Molecular Weight399.88 g/mol
Exact Mass399.01
IUPAC NameN-(3-chloro-1H-indol-7-yl)-2-(methanesulfonamido)benzenesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
InChIInChI=1S/C15H14ClN3O4S2/c1-24(20,21)18-12-6-2-3-8-14(12)25(22,23)19-13-7-4-5-10-11(16)9-17-15(10)13/h2-9,17-19H,1H3
InChIKeyLPTNTAAXZTVFRG-UHFFFAOYSA-N
XLogP2.99
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1H-indol-7-yl)-2-(methanesulfonamido)benzenesulfonamide?
The IUPAC name of N-(3-chloro-1H-indol-7-yl)-2-(methanesulfonamido)benzenesulfonamide (CID 10597090) is N-(3-chloro-1H-indol-7-yl)-2-(methanesulfonamido)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-1H-indol-7-yl)-2-(methanesulfonamido)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-1H-indol-7-yl)-2-(methanesulfonamido)benzenesulfonamide is CS(=O)(=O)Nc1ccccc1S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12.
What is the InChIKey of N-(3-chloro-1H-indol-7-yl)-2-(methanesulfonamido)benzenesulfonamide?
The InChIKey is LPTNTAAXZTVFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4S2/c1-24(20,21)18-12-6-2-3-8-14(12)25(22,23)19-13-7-4-5-10-11(16)9-17-15(10)13/h2-9,17-19H,1H3.
What are the key properties of N-(3-chloro-1H-indol-7-yl)-2-(methanesulfonamido)benzenesulfonamide?
N-(3-chloro-1H-indol-7-yl)-2-(methanesulfonamido)benzenesulfonamide has a molecular weight of 399.88 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1H-indol-7-yl)-2-(methanesulfonamido)benzenesulfonamide is sourced from PubChem (CID 10597090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).