N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide

C10H15NO3S — CID 67712691

IUPACN-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CCCO)cc1
InChIInChI=1S/C10H15NO3S/c1-15(13,14)11-10-6-4-9(5-7-10)3-2-8-12/h4-7,11-12H,2-3,8H2,1H3
InChIKeyNLUHXQRVUCSQKV-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.98
Rot. Bonds5

About N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide

N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide (PubChem CID 67712691) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
PubChem CID67712691
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CCCO)cc1
InChIInChI=1S/C10H15NO3S/c1-15(13,14)11-10-6-4-9(5-7-10)3-2-8-12/h4-7,11-12H,2-3,8H2,1H3
InChIKeyNLUHXQRVUCSQKV-UHFFFAOYSA-N
XLogP0.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(methylamino)butyl]phenyl]methanesulfonamide
CID 23316726
N-[4-[4-(methanesulfonamido)phenyl]butyl]formamide
CID 174389661
N-[4-(3-hydroxy-3-methylbutyl)phenyl]methanesulfonamide
CID 70523861
N-[4-[4-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]butyl]phenyl]methanesulfonamide
CID 14645113
1-tert-butyl-3-[3-[4-(methanesulfonamido)phenyl]propyl]urea
CID 110664447
4-[4-(methanesulfonamido)phenyl]-2-oxobutanamide
CID 141354301
4-(3-hydroxypropyl)-N-phenylbenzenesulfonamide
CID 39397991
1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875286
N-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 23545958
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
CID 142116771
N-[4-[2-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)ethyl]phenyl]methanesulfonamide
CID 169437444
N-[4-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]phenyl]methanesulfonamide
CID 159770469

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide (CID 67712691) is N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CCCO)cc1.
What is the InChIKey of N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide?
The InChIKey is NLUHXQRVUCSQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-15(13,14)11-10-6-4-9(5-7-10)3-2-8-12/h4-7,11-12H,2-3,8H2,1H3.
What are the key properties of N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide?
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide is sourced from PubChem (CID 67712691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).