1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea

C17H25N3O3S — CID 110314101

IUPAC1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)NC1CCCCC1
InChIInChI=1S/C17H25N3O3S/c21-17(18-14-7-2-1-3-8-14)19-15-9-6-10-16(13-15)24(22,23)20-11-4-5-12-20/h6,9-10,13-14H,1-5,7-8,11-12H2,(H2,18,19,21)
InChIKeyASAKKBNYGFHLLA-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.93
Rot. Bonds4

About 1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea

1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea (PubChem CID 110314101) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea
PubChem CID110314101
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)NC1CCCCC1
InChIInChI=1S/C17H25N3O3S/c21-17(18-14-7-2-1-3-8-14)19-15-9-6-10-16(13-15)24(22,23)20-11-4-5-12-20/h6,9-10,13-14H,1-5,7-8,11-12H2,(H2,18,19,21)
InChIKeyASAKKBNYGFHLLA-UHFFFAOYSA-N
XLogP2.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9265434
1-[3-(trifluoromethyl)phenyl]-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]urea
CID 141202562
4-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672164
1-acetyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 31297742
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
1-cyclohexyl-3-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]urea
CID 25069817
2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119672230
1-butyl-3-(3-piperidin-1-ylsulfonylphenyl)urea
CID 134062778
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 11931048
(3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide
CID 9073712
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
1-(4-nitrophenyl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea
CID 8002734

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea?
The IUPAC name of 1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea (CID 110314101) is 1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea is O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea?
The InChIKey is ASAKKBNYGFHLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-17(18-14-7-2-1-3-8-14)19-15-9-6-10-16(13-15)24(22,23)20-11-4-5-12-20/h6,9-10,13-14H,1-5,7-8,11-12H2,(H2,18,19,21).
What are the key properties of 1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea?
1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea has a molecular weight of 351.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea is sourced from PubChem (CID 110314101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).