N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide

C11H17NO3S — CID 11287998

IUPACN-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCO)cc1
InChIInChI=1S/C11H17NO3S/c1-10-4-6-11(7-5-10)16(14,15)12(2)8-3-9-13/h4-7,13H,3,8-9H2,1-2H3
InChIKeySMRWGTYNAKRLAR-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.00
Rot. Bonds5

About N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide

N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide (PubChem CID 11287998) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
PubChem CID11287998
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)CCCO)cc1
InChIInChI=1S/C11H17NO3S/c1-10-4-6-11(7-5-10)16(14,15)12(2)8-3-9-13/h4-7,13H,3,8-9H2,1-2H3
InChIKeySMRWGTYNAKRLAR-UHFFFAOYSA-N
XLogP1.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxypropyl)-N-[3-[3-hydroxypropyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 14386909
N,4-dimethyl-N-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl-(4-methylphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 11767132
N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 54916389
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490
4-(cyanomethyl)-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
CID 114230211
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]propyl]-4-methylbenzenesulfonamide
CID 59350880
N-(5-hydroxypent-1-ynyl)-N,4-dimethylbenzenesulfonamide
CID 102219565
4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103731031
N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 11608901
4-[5-hydroxypentyl(methyl)sulfamoyl]benzenecarbothioamide
CID 107199767
N-tert-butyl-4-[methyl-(4-methylphenyl)sulfonylamino]butanamide
CID 2136205
4-amino-3-bromo-N-(3-hydroxypropyl)-N-methylbenzenesulfonamide
CID 114230037

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide (CID 11287998) is N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)CCCO)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is SMRWGTYNAKRLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-10-4-6-11(7-5-10)16(14,15)12(2)8-3-9-13/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide?
N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 11287998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).