N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide

C13H21NO3S — CID 54916389

IUPACN-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCCO)C(C)C)cc1
InChIInChI=1S/C13H21NO3S/c1-11(2)14(9-4-10-15)18(16,17)13-7-5-12(3)6-8-13/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyNNRLKBWJMLGHRI-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.78
Rot. Bonds6

About N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide

N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 54916389) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID54916389
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCCO)C(C)C)cc1
InChIInChI=1S/C13H21NO3S/c1-11(2)14(9-4-10-15)18(16,17)13-7-5-12(3)6-8-13/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyNNRLKBWJMLGHRI-UHFFFAOYSA-N
XLogP1.78
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 54916437
N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 14386909
N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 11287998
N-butan-2-yl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 112517569
4-cyano-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 106919760
4-amino-3-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 115329913
N'-hydroxy-3-[(4-methylphenyl)sulfonyl-propan-2-ylamino]propanimidamide
CID 76911536
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 11608901
N-(3-hydroxypropyl)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 146526103
methyl 2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 54942029
ethyl 4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]benzoate
CID 43574674

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide (CID 54916389) is N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCCO)C(C)C)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is NNRLKBWJMLGHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-11(2)14(9-4-10-15)18(16,17)13-7-5-12(3)6-8-13/h5-8,11,15H,4,9-10H2,1-3H3.
What are the key properties of N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide?
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 54916389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).