N-[3-(7-chloroquinolin-4-yl)-2-methyl-1H-indol-5-yl]methanesulfonamide

C19H16ClN3O2S — CID 158288880

IUPACN-[3-(7-chloroquinolin-4-yl)-2-methyl-1H-indol-5-yl]methanesulfonamide
SMILESCc1[nH]c2ccc(NS(C)(=O)=O)cc2c1-c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H16ClN3O2S/c1-11-19(15-7-8-21-18-9-12(20)3-5-14(15)18)16-10-13(23-26(2,24)25)4-6-17(16)22-11/h3-10,22-23H,1-2H3
InChIKeyKZYWEYGKOKOMAI-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.72
Rot. Bonds3

About N-[3-(7-chloroquinolin-4-yl)-2-methyl-1H-indol-5-yl]methanesulfonamide

N-[3-(7-chloroquinolin-4-yl)-2-methyl-1H-indol-5-yl]methanesulfonamide (PubChem CID 158288880) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is N-[3-(7-chloroquinolin-4-yl)-2-methyl-1H-indol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(7-chloroquinolin-4-yl)-2-methyl-1H-indol-5-yl]methanesulfonamide
PubChem CID158288880
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC NameN-[3-(7-chloroquinolin-4-yl)-2-methyl-1H-indol-5-yl]methanesulfonamide
SMILESCc1[nH]c2ccc(NS(C)(=O)=O)cc2c1-c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C19H16ClN3O2S/c1-11-19(15-7-8-21-18-9-12(20)3-5-14(15)18)16-10-13(23-26(2,24)25)4-6-17(16)22-11/h3-10,22-23H,1-2H3
InChIKeyKZYWEYGKOKOMAI-UHFFFAOYSA-N
XLogP4.72
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-4-(2-methyl-5-nitro-1H-indol-3-yl)quinoline
CID 66651928
4-(2-methyl-1H-indol-3-yl)quinoline
CID 745072
8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline
CID 66651790
8-chloro-4-(2,5-dimethyl-1H-indol-3-yl)quinoline;hydrochloride
CID 131729351
N-[5-(7-chloroquinolin-4-yl)sulfanyl-1,3,4-thiadiazol-2-yl]methanesulfonamide
CID 11740050
2-[3-(7-chloroquinolin-4-yl)-2,5-dimethyl-6-methylsulfonylindol-1-yl]acetic acid
CID 66651797
4-(2,5-dimethyl-1H-indol-3-yl)-8-fluoroquinoline;hydrochloride
CID 131729346
N-[1-[(7-chloroquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859181
N-(2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl)methanesulfonamide
CID 53309974
N-[5-(2,4-dichlorophenyl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]methanesulfonamide
CID 15981176
N-[4-(6-chloroquinoxalin-2-yl)phenyl]methanesulfonamide
CID 159141337
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]methanesulfonamide
CID 113086047

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-chloroquinolin-4-yl)-2-methyl-1H-indol-5-yl]methanesulfonamide?
The IUPAC name of N-[3-(7-chloroquinolin-4-yl)-2-methyl-1H-indol-5-yl]methanesulfonamide (CID 158288880) is N-[3-(7-chloroquinolin-4-yl)-2-methyl-1H-indol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(7-chloroquinolin-4-yl)-2-methyl-1H-indol-5-yl]methanesulfonamide?
The canonical SMILES for N-[3-(7-chloroquinolin-4-yl)-2-methyl-1H-indol-5-yl]methanesulfonamide is Cc1[nH]c2ccc(NS(C)(=O)=O)cc2c1-c1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-[3-(7-chloroquinolin-4-yl)-2-methyl-1H-indol-5-yl]methanesulfonamide?
The InChIKey is KZYWEYGKOKOMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-11-19(15-7-8-21-18-9-12(20)3-5-14(15)18)16-10-13(23-26(2,24)25)4-6-17(16)22-11/h3-10,22-23H,1-2H3.
What are the key properties of N-[3-(7-chloroquinolin-4-yl)-2-methyl-1H-indol-5-yl]methanesulfonamide?
N-[3-(7-chloroquinolin-4-yl)-2-methyl-1H-indol-5-yl]methanesulfonamide has a molecular weight of 385.88 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7-chloroquinolin-4-yl)-2-methyl-1H-indol-5-yl]methanesulfonamide is sourced from PubChem (CID 158288880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).