N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide

C21H27ClN2O3S — CID 2670785

IUPACN-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide
SMILESCC[C@H](C)c1ccccc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl
InChIInChI=1S/C21H27ClN2O3S/c1-5-15(4)17-10-8-9-11-20(17)23-21(25)18-14-16(12-13-19(18)22)28(26,27)24(6-2)7-3/h8-15H,5-7H2,1-4H3,(H,23,25)/t15-/m0/s1
InChIKeyFBXGCMZTFVSOSB-HNNXBMFYSA-N
MW422.98 g/mol
LogP5.14
Rot. Bonds8

About N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide

N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide (PubChem CID 2670785) has the molecular formula C21H27ClN2O3S and a molecular weight of 422.98 g/mol. Its IUPAC name is N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide
PubChem CID2670785
Molecular FormulaC21H27ClN2O3S
Molecular Weight422.98 g/mol
Exact Mass422.14
IUPAC NameN-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide
SMILESCC[C@H](C)c1ccccc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl
InChIInChI=1S/C21H27ClN2O3S/c1-5-15(4)17-10-8-9-11-20(17)23-21(25)18-14-16(12-13-19(18)22)28(26,27)24(6-2)7-3/h8-15H,5-7H2,1-4H3,(H,23,25)/t15-/m0/s1
InChIKeyFBXGCMZTFVSOSB-HNNXBMFYSA-N
XLogP5.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.98
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]-3-(diethylsulfamoyl)benzamide
CID 2670766
N-(2-butan-2-ylphenyl)-2-chloro-4,5-difluorobenzamide
CID 4779890
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 2678518
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 2677242
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438
N-[2-[(2S)-butan-2-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 8008595
2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide
CID 3413626
[1-(2-methylanilino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 6915026

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide (CID 2670785) is N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide is CC[C@H](C)c1ccccc1NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl.
What is the InChIKey of N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide?
The InChIKey is FBXGCMZTFVSOSB-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27ClN2O3S/c1-5-15(4)17-10-8-9-11-20(17)23-21(25)18-14-16(12-13-19(18)22)28(26,27)24(6-2)7-3/h8-15H,5-7H2,1-4H3,(H,23,25)/t15-/m0/s1.
What are the key properties of N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide?
N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide has a molecular weight of 422.98 g/mol, XLogP of 5.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-butan-2-yl]phenyl]-2-chloro-5-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 2670785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).