2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide

C13H18ClNO3S — CID 102847463

IUPAC2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1Cl)N(CCCO)C1CCC1
InChIInChI=1S/C13H18ClNO3S/c14-12-7-1-2-8-13(12)19(17,18)15(9-4-10-16)11-5-3-6-11/h1-2,7-8,11,16H,3-6,9-10H2
InChIKeyPUNVRMZWLYKWLZ-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.27
Rot. Bonds6

About 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide

2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 102847463) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID102847463
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1Cl)N(CCCO)C1CCC1
InChIInChI=1S/C13H18ClNO3S/c14-12-7-1-2-8-13(12)19(17,18)15(9-4-10-16)11-5-3-6-11/h1-2,7-8,11,16H,3-6,9-10H2
InChIKeyPUNVRMZWLYKWLZ-UHFFFAOYSA-N
XLogP2.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577489
4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 102861360
2,3-dichloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577659
N-cyclobutyl-N-(3-hydroxypropyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide
CID 102847607
2-cyano-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-3-sulfonamide
CID 106546859
2-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 102675724
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102860892
N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide
CID 102847511
2-[cyclobutyl(2-hydroxyethyl)sulfamoyl]benzenecarbothioamide
CID 102862565
N-(2-chloroethyl)-N-cyclobutyl-2-methylbenzenesulfonamide
CID 102873632
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577535
2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide
CID 102873388

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide (CID 102847463) is 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide is O=S(=O)(c1ccccc1Cl)N(CCCO)C1CCC1.
What is the InChIKey of 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is PUNVRMZWLYKWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c14-12-7-1-2-8-13(12)19(17,18)15(9-4-10-16)11-5-3-6-11/h1-2,7-8,11,16H,3-6,9-10H2.
What are the key properties of 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide?
2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 102847463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).