3-(3-hydroxypropylsulfonyl)-4-phenylbenzamide;hydrochloride

C16H18ClNO4S — CID 141138310

IUPAC3-(3-hydroxypropylsulfonyl)-4-phenylbenzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(-c2ccccc2)c(S(=O)(=O)CCCO)c1
InChIInChI=1S/C16H17NO4S.ClH/c17-16(19)13-7-8-14(12-5-2-1-3-6-12)15(11-13)22(20,21)10-4-9-18;/h1-3,5-8,11,18H,4,9-10H2,(H2,17,19);1H
InChIKeyTUNYJKHOAVNEFU-UHFFFAOYSA-N
MW355.84 g/mol
LogP2.03
Rot. Bonds6

About 3-(3-hydroxypropylsulfonyl)-4-phenylbenzamide;hydrochloride

3-(3-hydroxypropylsulfonyl)-4-phenylbenzamide;hydrochloride (PubChem CID 141138310) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is 3-(3-hydroxypropylsulfonyl)-4-phenylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-(3-hydroxypropylsulfonyl)-4-phenylbenzamide;hydrochloride
PubChem CID141138310
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC Name3-(3-hydroxypropylsulfonyl)-4-phenylbenzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(-c2ccccc2)c(S(=O)(=O)CCCO)c1
InChIInChI=1S/C16H17NO4S.ClH/c17-16(19)13-7-8-14(12-5-2-1-3-6-12)15(11-13)22(20,21)10-4-9-18;/h1-3,5-8,11,18H,4,9-10H2,(H2,17,19);1H
InChIKeyTUNYJKHOAVNEFU-UHFFFAOYSA-N
XLogP2.03
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-hydroxypropylsulfonyl)-4-phenylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(5-carbamoyl-2-phenylphenyl)phenyl]-4-phenylbenzamide
CID 141346150
3-tert-butyl-4-phenylbenzamide
CID 18779086
2-(3-hydroxypropylsulfonyl)benzoic acid
CID 66878034
3-(4-phenylphenyl)sulfonylpropan-1-ol
CID 11659134
3-fluoro-4-(3-hydroxypropylsulfonyl)benzoic acid
CID 79186797
4-phenyl-3-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
CID 141118952
4-amino-3-propylsulfonylbenzamide
CID 63355743
4-bromo-3-(5-hydroxypentylsulfonyl)benzoic acid
CID 55052958
1-pentylsulfonyl-2-phenylbenzene
CID 69120120
3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide
CID 122422474
4-hydroxybutyl 3-fluoro-4-phenylbenzoate
CID 91376358
4-[[6-[4-(3-hydroxypropylsulfonyl)phenyl]-2-pyridinyl]amino]benzamide
CID 58599496

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropylsulfonyl)-4-phenylbenzamide;hydrochloride?
The IUPAC name of 3-(3-hydroxypropylsulfonyl)-4-phenylbenzamide;hydrochloride (CID 141138310) is 3-(3-hydroxypropylsulfonyl)-4-phenylbenzamide;hydrochloride.
What is the SMILES notation for 3-(3-hydroxypropylsulfonyl)-4-phenylbenzamide;hydrochloride?
The canonical SMILES for 3-(3-hydroxypropylsulfonyl)-4-phenylbenzamide;hydrochloride is Cl.NC(=O)c1ccc(-c2ccccc2)c(S(=O)(=O)CCCO)c1.
What is the InChIKey of 3-(3-hydroxypropylsulfonyl)-4-phenylbenzamide;hydrochloride?
The InChIKey is TUNYJKHOAVNEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S.ClH/c17-16(19)13-7-8-14(12-5-2-1-3-6-12)15(11-13)22(20,21)10-4-9-18;/h1-3,5-8,11,18H,4,9-10H2,(H2,17,19);1H.
What are the key properties of 3-(3-hydroxypropylsulfonyl)-4-phenylbenzamide;hydrochloride?
3-(3-hydroxypropylsulfonyl)-4-phenylbenzamide;hydrochloride has a molecular weight of 355.84 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropylsulfonyl)-4-phenylbenzamide;hydrochloride is sourced from PubChem (CID 141138310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).