1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea

C18H18ClN5O3S — CID 55731026

IUPAC1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H18ClN5O3S/c1-12-16(17(19)24(2)22-12)28(26,27)23-15-10-6-9-14(11-15)21-18(25)20-13-7-4-3-5-8-13/h3-11,23H,1-2H3,(H2,20,21,25)
InChIKeyZDBVWPCRBWQBSB-UHFFFAOYSA-N
MW419.89 g/mol
LogP3.83
Rot. Bonds5

About 1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea

1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea (PubChem CID 55731026) has the molecular formula C18H18ClN5O3S and a molecular weight of 419.89 g/mol. Its IUPAC name is 1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea
PubChem CID55731026
Molecular FormulaC18H18ClN5O3S
Molecular Weight419.89 g/mol
Exact Mass419.08
IUPAC Name1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H18ClN5O3S/c1-12-16(17(19)24(2)22-12)28(26,27)23-15-10-6-9-14(11-15)21-18(25)20-13-7-4-3-5-8-13/h3-11,23H,1-2H3,(H2,20,21,25)
InChIKeyZDBVWPCRBWQBSB-UHFFFAOYSA-N
XLogP3.83
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1,3-dimethyl-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 25038632
N-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-fluorophenyl]acetamide
CID 55895951
1-[3-[(3-chloro-2-hydroxyphenyl)sulfonylamino]phenyl]-3-phenylurea
CID 138041549
5-chloro-N-[4-(diethylamino)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3507128
3,4-dimethyl-5-[[3-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid
CID 24622089
1-[3-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]-3-phenylurea
CID 31075764
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 3854841
5-chloro-1,3-dimethyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrazole-4-sulfonamide
CID 86870290
5-chloro-N-[4-(diethylsulfamoyl)phenyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 55730964
5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dimethylpyrazole-4-sulfonamide
CID 55731289
5-chloro-N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 146545852
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea?
The IUPAC name of 1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea (CID 55731026) is 1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea is Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea?
The InChIKey is ZDBVWPCRBWQBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O3S/c1-12-16(17(19)24(2)22-12)28(26,27)23-15-10-6-9-14(11-15)21-18(25)20-13-7-4-3-5-8-13/h3-11,23H,1-2H3,(H2,20,21,25).
What are the key properties of 1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea?
1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea has a molecular weight of 419.89 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]phenyl]-3-phenylurea is sourced from PubChem (CID 55731026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).