4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide

C15H15ClN2O2S — CID 43604283

IUPAC4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)CCN2
InChIInChI=1S/C15H15ClN2O2S/c1-10-8-12(16)2-5-15(10)21(19,20)18-13-3-4-14-11(9-13)6-7-17-14/h2-5,8-9,17-18H,6-7H2,1H3
InChIKeyVLAQHRKSKMSRRU-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.42
Rot. Bonds3

About 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide

4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide (PubChem CID 43604283) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide
PubChem CID43604283
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)CCN2
InChIInChI=1S/C15H15ClN2O2S/c1-10-8-12(16)2-5-15(10)21(19,20)18-13-3-4-14-11(9-13)6-7-17-14/h2-5,8-9,17-18H,6-7H2,1H3
InChIKeyVLAQHRKSKMSRRU-UHFFFAOYSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 43604252
2,4-dibromo-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 60824049
2,6-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604311
4-chloro-N-(3,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 123943887
N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604199
2,4-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzenesulfonamide
CID 20933631
2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604300
2-fluoro-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide
CID 62632226
N-(4-iodophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28976761
N-(2-bromo-5-chlorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 81281250
4-chloro-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylbenzenesulfonamide
CID 60532674
N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide
CID 63242833

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide (CID 43604283) is 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide is Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc2c(c1)CCN2.
What is the InChIKey of 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide?
The InChIKey is VLAQHRKSKMSRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-10-8-12(16)2-5-15(10)21(19,20)18-13-3-4-14-11(9-13)6-7-17-14/h2-5,8-9,17-18H,6-7H2,1H3.
What are the key properties of 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide?
4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide has a molecular weight of 322.82 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43604283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).