N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide

C18H21ClN2O5S2 — CID 55965472

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O5S2/c1-12(2)27(23,24)13(3)18(22)20-16-5-4-6-17(11-16)28(25,26)21-15-9-7-14(19)8-10-15/h4-13,21H,1-3H3,(H,20,22)
InChIKeyFCIOGPSBMJCCLM-UHFFFAOYSA-N
MW444.96 g/mol
LogP3.29
Rot. Bonds7

About N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide

N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide (PubChem CID 55965472) has the molecular formula C18H21ClN2O5S2 and a molecular weight of 444.96 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide
PubChem CID55965472
Molecular FormulaC18H21ClN2O5S2
Molecular Weight444.96 g/mol
Exact Mass444.06
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)C(C)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O5S2/c1-12(2)27(23,24)13(3)18(22)20-16-5-4-6-17(11-16)28(25,26)21-15-9-7-14(19)8-10-15/h4-13,21H,1-3H3,(H,20,22)
InChIKeyFCIOGPSBMJCCLM-UHFFFAOYSA-N
XLogP3.29
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.96
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26592920
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-2-methylbutanamide
CID 43062359
2,5-dichloro-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]thiophene-3-carboxamide
CID 26720210
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
propan-2-yl 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 43056299
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965624
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 51162183
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 26592931
3-(benzenesulfonamido)-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
CID 55347189
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 35742588
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide (CID 55965472) is N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide is CC(C)S(=O)(=O)C(C)C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide?
The InChIKey is FCIOGPSBMJCCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5S2/c1-12(2)27(23,24)13(3)18(22)20-16-5-4-6-17(11-16)28(25,26)21-15-9-7-14(19)8-10-15/h4-13,21H,1-3H3,(H,20,22).
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide?
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide has a molecular weight of 444.96 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 55965472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).