1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea

C21H24Cl2N4O4S — CID 55438541

IUPAC1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C21H24Cl2N4O4S/c1-14(2)24-21(29)25-18-6-4-3-5-16(18)20(28)26-9-11-27(12-10-26)32(30,31)19-13-15(22)7-8-17(19)23/h3-8,13-14H,9-12H2,1-2H3,(H2,24,25,29)
InChIKeyJLXJRINJJSUURG-UHFFFAOYSA-N
MW499.42 g/mol
LogP3.67
Rot. Bonds5

About 1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea

1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea (PubChem CID 55438541) has the molecular formula C21H24Cl2N4O4S and a molecular weight of 499.42 g/mol. Its IUPAC name is 1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
PubChem CID55438541
Molecular FormulaC21H24Cl2N4O4S
Molecular Weight499.42 g/mol
Exact Mass498.09
IUPAC Name1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C21H24Cl2N4O4S/c1-14(2)24-21(29)25-18-6-4-3-5-16(18)20(28)26-9-11-27(12-10-26)32(30,31)19-13-15(22)7-8-17(19)23/h3-8,13-14H,9-12H2,1-2H3,(H2,24,25,29)
InChIKeyJLXJRINJJSUURG-UHFFFAOYSA-N
XLogP3.67
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea
CID 55974794
N-[(2R)-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 38168403
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9496675
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 16615041
(2S)-2-amino-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119265676
4-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 26870155
(2-anilinophenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27799750
1-[2-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 51281374
(5-chloro-2-methoxyphenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26757252
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 38170782
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 20970601
3-(azepan-1-ylsulfonyl)-N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-chlorobenzamide
CID 41032131

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea (CID 55438541) is 1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The InChIKey is JLXJRINJJSUURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4O4S/c1-14(2)24-21(29)25-18-6-4-3-5-16(18)20(28)26-9-11-27(12-10-26)32(30,31)19-13-15(22)7-8-17(19)23/h3-8,13-14H,9-12H2,1-2H3,(H2,24,25,29).
What are the key properties of 1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea has a molecular weight of 499.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,5-dichlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 55438541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).