heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate

C20H25ClN2O4S — CID 2250939

IUPACheptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate
SMILESCCCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-2-3-4-5-8-15-27-20(24)22-16-11-13-17(14-12-16)28(25,26)23-19-10-7-6-9-18(19)21/h6-7,9-14,23H,2-5,8,15H2,1H3,(H,22,24)
InChIKeyKNKHYTZMJCDIMI-UHFFFAOYSA-N
MW424.95 g/mol
LogP5.66
Rot. Bonds10

About heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate

heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate (PubChem CID 2250939) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameheptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate
PubChem CID2250939
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC Nameheptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate
SMILESCCCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C20H25ClN2O4S/c1-2-3-4-5-8-15-27-20(24)22-16-11-13-17(14-12-16)28(25,26)23-19-10-7-6-9-18(19)21/h6-7,9-14,23H,2-5,8,15H2,1H3,(H,22,24)
InChIKeyKNKHYTZMJCDIMI-UHFFFAOYSA-N
XLogP5.66
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.95
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

pentyl N-[4-(phenylsulfamoyl)phenyl]carbamate
CID 2249987
butyl N-[4-[(2-iodophenyl)sulfamoyl]phenyl]carbamate
CID 2248835
octadecyl N-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]carbamate
CID 19594257
pentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate
CID 2247161
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
sodium (2,6-dichlorophenyl)-[4-(pentoxycarbonylamino)phenyl]sulfonylazanide
CID 140902040
dodecyl N-phenylcarbamate
CID 521818
hexyl N-(3-chloro-2-hydroxyphenyl)carbamate
CID 69009032
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
heptyl 2-(2-chloroanilino)-2-oxoacetate
CID 6420862
(2S)-2-(2-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]butanamide
CID 92678428

Frequently Asked Questions

What is the IUPAC name of heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate?
The IUPAC name of heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate (CID 2250939) is heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate.
What is the SMILES notation for heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate?
The canonical SMILES for heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate is CCCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate?
The InChIKey is KNKHYTZMJCDIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-2-3-4-5-8-15-27-20(24)22-16-11-13-17(14-12-16)28(25,26)23-19-10-7-6-9-18(19)21/h6-7,9-14,23H,2-5,8,15H2,1H3,(H,22,24).
What are the key properties of heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate?
heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate has a molecular weight of 424.95 g/mol, XLogP of 5.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate is sourced from PubChem (CID 2250939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).