2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide

C14H17ClN2O3S — CID 83173175

IUPAC2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide
SMILESCc1cc2cccc(S(=O)(=O)NCCC(C)O)c2nc1Cl
InChIInChI=1S/C14H17ClN2O3S/c1-9-8-11-4-3-5-12(13(11)17-14(9)15)21(19,20)16-7-6-10(2)18/h3-5,8,10,16,18H,6-7H2,1-2H3
InChIKeyWCSVQIPLSRRHCM-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.25
Rot. Bonds5

About 2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide

2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide (PubChem CID 83173175) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide
PubChem CID83173175
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide
SMILESCc1cc2cccc(S(=O)(=O)NCCC(C)O)c2nc1Cl
InChIInChI=1S/C14H17ClN2O3S/c1-9-8-11-4-3-5-12(13(11)17-14(9)15)21(19,20)16-7-6-10(2)18/h3-5,8,10,16,18H,6-7H2,1-2H3
InChIKeyWCSVQIPLSRRHCM-UHFFFAOYSA-N
XLogP2.25
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chloro-3-methylquinolin-8-yl)sulfonylamino]propanoic acid
CID 83171927
N-(3-aminopropyl)-2-chloro-3-methylquinoline-8-sulfonamide
CID 83223405
2,3-dichloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912476
4-chloro-N-(3-hydroxybutyl)-2-methylbenzenesulfonamide
CID 64913110
N-(3-hydroxybutyl)isoquinoline-5-sulfonamide
CID 64910604
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
2,3-dichloro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271143
1-(2-chloro-3-methylquinolin-8-yl)sulfonylazetidin-3-ol
CID 83224224
3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
5-chloro-N-(3-hydroxybutyl)-4-methylthiophene-2-sulfonamide
CID 103100218
N-(3-hydroxybutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 64911010
N-(3-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide?
The IUPAC name of 2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide (CID 83173175) is 2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide is Cc1cc2cccc(S(=O)(=O)NCCC(C)O)c2nc1Cl.
What is the InChIKey of 2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide?
The InChIKey is WCSVQIPLSRRHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c1-9-8-11-4-3-5-12(13(11)17-14(9)15)21(19,20)16-7-6-10(2)18/h3-5,8,10,16,18H,6-7H2,1-2H3.
What are the key properties of 2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide?
2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide has a molecular weight of 328.82 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-hydroxybutyl)-3-methylquinoline-8-sulfonamide is sourced from PubChem (CID 83173175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).