N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide

C20H25ClN2O5S2 — CID 55752915

IUPACN-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C20H25ClN2O5S2/c1-5-23(6-2)30(27,28)17-11-12-18(21)19(13-17)22-20(24)15-7-9-16(10-8-15)29(25,26)14(3)4/h7-14H,5-6H2,1-4H3,(H,22,24)
InChIKeyHUWBLUGSQFXCPJ-UHFFFAOYSA-N
MW473.02 g/mol
LogP3.80
Rot. Bonds8

About N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide (PubChem CID 55752915) has the molecular formula C20H25ClN2O5S2 and a molecular weight of 473.02 g/mol. Its IUPAC name is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide
PubChem CID55752915
Molecular FormulaC20H25ClN2O5S2
Molecular Weight473.02 g/mol
Exact Mass472.09
IUPAC NameN-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C20H25ClN2O5S2/c1-5-23(6-2)30(27,28)17-11-12-18(21)19(13-17)22-20(24)15-7-9-16(10-8-15)29(25,26)14(3)4/h7-14H,5-6H2,1-4H3,(H,22,24)
InChIKeyHUWBLUGSQFXCPJ-UHFFFAOYSA-N
XLogP3.80
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.02
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-(diethylsulfamoyl)phenyl]pyridine-4-carboxamide
CID 2963512
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-4-propan-2-ylbenzamide
CID 35993040
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-methylsulfonylbenzamide
CID 26354339
N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-4-fluorobenzamide
CID 7958654
(2S)-2-(azocan-1-yl)-N-[2-chloro-5-(diethylsulfamoyl)phenyl]propanamide
CID 8583559
5-chloro-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 55343210
[2-[2-chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-benzamido-3-methylbutanoate
CID 4148507
N-(5-amino-2-methylphenyl)-4-(diethylsulfamoyl)benzamide
CID 28867137
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-4-cyanobenzamide
CID 5218436
2-chloro-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 39171138
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 78874093

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide (CID 55752915) is N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c1.
What is the InChIKey of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide?
The InChIKey is HUWBLUGSQFXCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S2/c1-5-23(6-2)30(27,28)17-11-12-18(21)19(13-17)22-20(24)15-7-9-16(10-8-15)29(25,26)14(3)4/h7-14H,5-6H2,1-4H3,(H,22,24).
What are the key properties of N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide?
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide has a molecular weight of 473.02 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(diethylsulfamoyl)phenyl]-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 55752915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).