N-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide

C16H14ClN3O3S — CID 154034450

IUPACN-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1-n1cc(CO)cn1)c1ccccc1
InChIInChI=1S/C16H14ClN3O3S/c17-13-6-7-15(16(8-13)20-10-12(11-21)9-18-20)19-24(22,23)14-4-2-1-3-5-14/h1-10,19,21H,11H2
InChIKeyDLGHQNBNEWJRAH-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.82
Rot. Bonds5

About N-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide

N-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide (PubChem CID 154034450) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is N-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
PubChem CID154034450
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC NameN-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)cc1-n1cc(CO)cn1)c1ccccc1
InChIInChI=1S/C16H14ClN3O3S/c17-13-6-7-15(16(8-13)20-10-12(11-21)9-18-20)19-24(22,23)14-4-2-1-3-5-14/h1-10,19,21H,11H2
InChIKeyDLGHQNBNEWJRAH-UHFFFAOYSA-N
XLogP2.82
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]phenyl]benzenesulfonamide
CID 154034454
4-tert-butyl-N-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]benzenesulfonamide
CID 25134743
4-tert-butyl-N-[4-chloro-2-[4-(morpholin-4-ylmethyl)pyrazol-1-yl]phenyl]benzenesulfonamide
CID 57378304
N-[4-chloro-2-[4-(2-hydroxypropan-2-yl)-5-methylpyrazol-1-yl]phenyl]benzenesulfonamide
CID 154034455
N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide
CID 134879213
2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511161
N-(2-benzoyl-4-chlorophenyl)-4-(pyrazol-1-ylmethyl)benzenesulfonamide
CID 58883582
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55839751
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24504607
N-(5-chloro-4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 82720133
2-(benzenesulfonamido)-N-(2,4-dichlorophenyl)benzamide
CID 155547933
4-chloro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 17383692

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide (CID 154034450) is N-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Cl)cc1-n1cc(CO)cn1)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
The InChIKey is DLGHQNBNEWJRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c17-13-6-7-15(16(8-13)20-10-12(11-21)9-18-20)19-24(22,23)14-4-2-1-3-5-14/h1-10,19,21H,11H2.
What are the key properties of N-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide?
N-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide has a molecular weight of 363.83 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[4-(hydroxymethyl)pyrazol-1-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 154034450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).