N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide

C21H27ClN2O3S — CID 17311380

IUPACN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C21H27ClN2O3S/c1-15(2)13-24(14-16(3)4)28(26,27)18-11-9-17(10-12-18)23-21(25)19-7-5-6-8-20(19)22/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)
InChIKeyCTVQCQDNLDDPNT-UHFFFAOYSA-N
MW422.98 g/mol
LogP4.89
Rot. Bonds8

About N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide

N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide (PubChem CID 17311380) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide
PubChem CID17311380
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC NameN-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C21H27ClN2O3S/c1-15(2)13-24(14-16(3)4)28(26,27)18-11-9-17(10-12-18)23-21(25)19-7-5-6-8-20(19)22/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)
InChIKeyCTVQCQDNLDDPNT-UHFFFAOYSA-N
XLogP4.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.98
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2,6-dichlorobenzamide
CID 17311636
(2S)-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-methylbutanamide
CID 40932274
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-(4-chlorophenyl)acetamide
CID 17311776
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 71464436
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylpropoxy)benzamide
CID 4945399
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-3-(propanoylamino)benzamide
CID 17312368
2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1303320
3-benzylsulfonyl-N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]propanamide
CID 17312270
2-chloro-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 43508377
ethyl 2-[4-[bis(2-methylpropyl)sulfamoyl]anilino]-2-oxoacetate
CID 17311755
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide
CID 4943521
2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide
CID 9415986

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide?
The IUPAC name of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide (CID 17311380) is N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide.
What is the SMILES notation for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide?
The canonical SMILES for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide is CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide?
The InChIKey is CTVQCQDNLDDPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O3S/c1-15(2)13-24(14-16(3)4)28(26,27)18-11-9-17(10-12-18)23-21(25)19-7-5-6-8-20(19)22/h5-12,15-16H,13-14H2,1-4H3,(H,23,25).
What are the key properties of N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide?
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide has a molecular weight of 422.98 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-2-chlorobenzamide is sourced from PubChem (CID 17311380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).