3-(butan-2-ylamino)-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide

C19H23Cl2N3O3S — CID 4611954

IUPAC3-(butan-2-ylamino)-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
SMILESCCC(C)NCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H23Cl2N3O3S/c1-3-13(2)22-11-10-19(25)23-16-8-9-17(21)18(12-16)28(26,27)24-15-6-4-14(20)5-7-15/h4-9,12-13,22,24H,3,10-11H2,1-2H3,(H,23,25)
InChIKeyNBRNEBZSLMEYFA-UHFFFAOYSA-N
MW444.38 g/mol
LogP4.51
Rot. Bonds9

About 3-(butan-2-ylamino)-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide

3-(butan-2-ylamino)-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide (PubChem CID 4611954) has the molecular formula C19H23Cl2N3O3S and a molecular weight of 444.38 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(butan-2-ylamino)-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
PubChem CID4611954
Molecular FormulaC19H23Cl2N3O3S
Molecular Weight444.38 g/mol
Exact Mass443.08
IUPAC Name3-(butan-2-ylamino)-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide
SMILESCCC(C)NCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H23Cl2N3O3S/c1-3-13(2)22-11-10-19(25)23-16-8-9-17(21)18(12-16)28(26,27)24-15-6-4-14(20)5-7-15/h4-9,12-13,22,24H,3,10-11H2,1-2H3,(H,23,25)
InChIKeyNBRNEBZSLMEYFA-UHFFFAOYSA-N
XLogP4.51
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.38
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-(butan-2-ylamino)-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide (CID 4611954) is 3-(butan-2-ylamino)-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-(butan-2-ylamino)-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-(butan-2-ylamino)-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide is CCC(C)NCCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(butan-2-ylamino)-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is NBRNEBZSLMEYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O3S/c1-3-13(2)22-11-10-19(25)23-16-8-9-17(21)18(12-16)28(26,27)24-15-6-4-14(20)5-7-15/h4-9,12-13,22,24H,3,10-11H2,1-2H3,(H,23,25).
What are the key properties of 3-(butan-2-ylamino)-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide?
3-(butan-2-ylamino)-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 444.38 g/mol, XLogP of 4.51, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 4611954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).