N-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide

C14H19ClN2O4S — CID 95154808

IUPACN-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide
SMILESO=C(CS(=O)(=O)NC[C@@H]1CCCO1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O4S/c15-12-5-3-11(4-6-12)8-16-14(18)10-22(19,20)17-9-13-2-1-7-21-13/h3-6,13,17H,1-2,7-10H2,(H,16,18)/t13-/m0/s1
InChIKeyWAFMSEIWCWUVHO-ZDUSSCGKSA-N
MW346.84 g/mol
LogP1.05
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide

N-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide (PubChem CID 95154808) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide
PubChem CID95154808
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide
SMILESO=C(CS(=O)(=O)NC[C@@H]1CCCO1)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O4S/c15-12-5-3-11(4-6-12)8-16-14(18)10-22(19,20)17-9-13-2-1-7-21-13/h3-6,13,17H,1-2,7-10H2,(H,16,18)/t13-/m0/s1
InChIKeyWAFMSEIWCWUVHO-ZDUSSCGKSA-N
XLogP1.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119296365
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide
CID 110625410
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
2-(oxolan-2-ylmethylsulfamoyl)acetic acid
CID 43209527
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2223143
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1327879
4-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2939658
1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119736096
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide
CID 30842118
1-(4-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
CID 27210861
5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide (CID 95154808) is N-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide is O=C(CS(=O)(=O)NC[C@@H]1CCCO1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide?
The InChIKey is WAFMSEIWCWUVHO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c15-12-5-3-11(4-6-12)8-16-14(18)10-22(19,20)17-9-13-2-1-7-21-13/h3-6,13,17H,1-2,7-10H2,(H,16,18)/t13-/m0/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide has a molecular weight of 346.84 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methylsulfamoyl]acetamide is sourced from PubChem (CID 95154808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).