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

C14H21ClN2O3S — CID 102861360

IUPAC4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)N(CCCO)C2CCC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O3S/c15-13-9-11(10-16)5-6-14(13)21(19,20)17(7-2-8-18)12-3-1-4-12/h5-6,9,12,18H,1-4,7-8,10,16H2
InChIKeyXKODICDTWJTQPX-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.72
Rot. Bonds7

About 4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide

4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 102861360) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID102861360
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)N(CCCO)C2CCC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2O3S/c15-13-9-11(10-16)5-6-14(13)21(19,20)17(7-2-8-18)12-3-1-4-12/h5-6,9,12,18H,1-4,7-8,10,16H2
InChIKeyXKODICDTWJTQPX-UHFFFAOYSA-N
XLogP1.72
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 102847463
2-chloro-N-cyclobutyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 102675724
2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859200
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577489
3-[cyclobutyl(3-hydroxypropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 102860892
4-amino-2-chloro-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 43107717
5-chloro-N-cyclobutyl-N-(3-hydroxypropyl)-4-nitrothiophene-2-sulfonamide
CID 102861554
2,5-dichloro-N-cyclobutyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 102675869
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
N-cyclobutyl-N-(3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
CID 102847530
2-chloro-N-(3-chloropropyl)-N-cyclobutyl-5-fluorobenzenesulfonamide
CID 102873388
N-cyclobutyl-N-(3-hydroxypropyl)-1-phenylmethanesulfonamide
CID 102847511

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide (CID 102861360) is 4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide is NCc1ccc(S(=O)(=O)N(CCCO)C2CCC2)c(Cl)c1.
What is the InChIKey of 4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is XKODICDTWJTQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c15-13-9-11(10-16)5-6-14(13)21(19,20)17(7-2-8-18)12-3-1-4-12/h5-6,9,12,18H,1-4,7-8,10,16H2.
What are the key properties of 4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide?
4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 332.85 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-chloro-N-cyclobutyl-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 102861360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).