5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide

C14H15ClN2O4S3 — CID 7517978

IUPAC5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
SMILESCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc21
InChIInChI=1S/C14H15ClN2O4S3/c1-23(18,19)17-8-2-3-10-4-5-11(9-12(10)17)16-24(20,21)14-7-6-13(15)22-14/h4-7,9,16H,2-3,8H2,1H3
InChIKeyQKKSYMQBFVGGBP-UHFFFAOYSA-N
MW406.94 g/mol
LogP2.91
Rot. Bonds4

About 5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide

5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide (PubChem CID 7517978) has the molecular formula C14H15ClN2O4S3 and a molecular weight of 406.94 g/mol. Its IUPAC name is 5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
PubChem CID7517978
Molecular FormulaC14H15ClN2O4S3
Molecular Weight406.94 g/mol
Exact Mass405.99
IUPAC Name5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide
SMILESCS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc21
InChIInChI=1S/C14H15ClN2O4S3/c1-23(18,19)17-8-2-3-10-4-5-11(9-12(10)17)16-24(20,21)14-7-6-13(15)22-14/h4-7,9,16H,2-3,8H2,1H3
InChIKeyQKKSYMQBFVGGBP-UHFFFAOYSA-N
XLogP2.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide (CID 7517978) is 5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide is CS(=O)(=O)N1CCCc2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc21.
What is the InChIKey of 5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
The InChIKey is QKKSYMQBFVGGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4S3/c1-23(18,19)17-8-2-3-10-4-5-11(9-12(10)17)16-24(20,21)14-7-6-13(15)22-14/h4-7,9,16H,2-3,8H2,1H3.
What are the key properties of 5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide?
5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide has a molecular weight of 406.94 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 7517978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).