[3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate

C15H15ClN2O4S — CID 3762660

IUPAC[3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1cccc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2O4S/c1-18(2)23(20,21)22-14-5-3-4-11(10-14)15(19)17-13-8-6-12(16)7-9-13/h3-10H,1-2H3,(H,17,19)
InChIKeyHEVAISJKFSCVHX-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.78
Rot. Bonds5

About [3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate

[3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate (PubChem CID 3762660) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate
PubChem CID3762660
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name[3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1cccc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C15H15ClN2O4S/c1-18(2)23(20,21)22-14-5-3-4-11(10-14)15(19)17-13-8-6-12(16)7-9-13/h3-10H,1-2H3,(H,17,19)
InChIKeyHEVAISJKFSCVHX-UHFFFAOYSA-N
XLogP2.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(4-(4-Chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide
CID 3626837
N-{4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-butyl}-3-methoxy-benzamide
CID 10644771
3-[(3-chloroanilino)carbonyl]phenyl-N,N-dimethylsulfamate
CID 3762661
N,N-dimethylsulfamic acid [3-[(4-methoxyanilino)-oxomethyl]phenyl] ester
CID 4309985
3-[(3,4-dichloroanilino)carbonyl]phenyl-N,N-dimethylsulfamate
CID 4322088
N-{5-[4-(4-Chloro-phenyl)-piperazin-1-yl]-pentyl}-3-methoxy-benzamide
CID 10811814
N-(4-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007184
[3-[(4-nitrophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate
CID 3528489
5-chloro-2-[(2,4-difluoroanilino)carbonyl]phenyl-N,N-dimethylsulfamate
CID 3706292
2-[(2-chloroanilino)carbonyl]phenyl-N,N-dimethylsulfamate
CID 3758870
3-[(2-chloroanilino)carbonyl]phenyl-N,N-dimethylsulfamate
CID 3762662
N-(4-chlorophenyl)-1-(3-hydroxybenzoyl)piperidine-4-carboxamide
CID 156009860

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate?
The IUPAC name of [3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate (CID 3762660) is [3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate.
What is the SMILES notation for [3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate?
The canonical SMILES for [3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate is CN(C)S(=O)(=O)Oc1cccc(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of [3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate?
The InChIKey is HEVAISJKFSCVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-18(2)23(20,21)22-14-5-3-4-11(10-14)15(19)17-13-8-6-12(16)7-9-13/h3-10H,1-2H3,(H,17,19).
What are the key properties of [3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate?
[3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate has a molecular weight of 354.82 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)carbamoyl]phenyl] N,N-dimethylsulfamate is sourced from PubChem (CID 3762660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).