N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide

C10H15ClN2O3S — CID 168636645

IUPACN-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NCC(O)CCl)c1
InChIInChI=1S/C10H15ClN2O3S/c1-17(15,16)13-9-4-2-3-8(5-9)12-7-10(14)6-11/h2-5,10,12-14H,6-7H2,1H3
InChIKeyNXKWJGDWIKLVMZ-UHFFFAOYSA-N
MW278.76 g/mol
LogP1.07
Rot. Bonds6

About N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide

N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide (PubChem CID 168636645) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide
PubChem CID168636645
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC NameN-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NCC(O)CCl)c1
InChIInChI=1S/C10H15ClN2O3S/c1-17(15,16)13-9-4-2-3-8(5-9)12-7-10(14)6-11/h2-5,10,12-14H,6-7H2,1H3
InChIKeyNXKWJGDWIKLVMZ-UHFFFAOYSA-N
XLogP1.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3-chloro-2-hydroxypropyl)amino]-3-methylphenyl]methanesulfonamide
CID 168638237
1-chloro-3-(3-propan-2-ylanilino)propan-2-ol
CID 168640793
3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzenesulfonamide
CID 168637649
N-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]phenyl]methanesulfonamide
CID 167820242
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
1-chloro-3-(3-methylsulfanylanilino)propan-2-ol
CID 168600816
1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol
CID 168636282
1-anilino-3-chloropropan-2-ol
CID 3640254
N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]benzamide
CID 168636757
1-chloro-3-[3-(4-methylpiperazin-1-yl)sulfonylanilino]propan-2-ol
CID 168638629
1-chloro-3-(3-ethoxyanilino)propan-2-ol
CID 168636629
N-[3-(2,3-dihydroxypropylamino)phenyl]cyclopropanesulfonamide
CID 168594420

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide (CID 168636645) is N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(NCC(O)CCl)c1.
What is the InChIKey of N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide?
The InChIKey is NXKWJGDWIKLVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/c1-17(15,16)13-9-4-2-3-8(5-9)12-7-10(14)6-11/h2-5,10,12-14H,6-7H2,1H3.
What are the key properties of N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide?
N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide has a molecular weight of 278.76 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 168636645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).