1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea

C26H24N4O3S — CID 12655483

IUPAC1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea
SMILESCc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H24N4O3S/c1-19-9-8-14-22(17-19)28-23-15-16-27-18-24(23)34(32,33)30-26(31)29-25(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-18,25H,1H3,(H,27,28)(H2,29,30,31)
InChIKeyNIAXRRNSFQVMQI-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.91
Rot. Bonds7

About 1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea

1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea (PubChem CID 12655483) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is 1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea.

Molecular Properties

Compound Name1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea
PubChem CID12655483
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC Name1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea
SMILESCc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H24N4O3S/c1-19-9-8-14-22(17-19)28-23-15-16-27-18-24(23)34(32,33)30-26(31)29-25(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-18,25H,1H3,(H,27,28)(H2,29,30,31)
InChIKeyNIAXRRNSFQVMQI-UHFFFAOYSA-N
XLogP4.91
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

lithium;hydride;1-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea;hydrate
CID 173249221
[[4-(3-methylanilino)-3-pyridinyl]-oxo-(propan-2-ylcarbamoylamino)-λ6-sulfanylidene]oxidanium
CID 163731126
1-[[4-(3-chloro-4-hydroxyanilino)-3-pyridinyl]sulfonyl]-3-propan-2-ylurea
CID 172970649
calcium [4-(3-methylanilino)-3-pyridinyl]sulfonyl-propan-2-ylazanidylcarbonylazanide
CID 74821404
N-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 129252573
N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]benzamide
CID 3043795
1-benzhydryl-3-[3-(phenylcarbamoylamino)phenyl]sulfonylurea
CID 154259297
1-benzhydryl-3-(4-methylphenyl)sulfonylurea
CID 1124078
4-(3-methylanilino)pyridine-3-carboxamide
CID 69304920
1-[1-(methoxymethyl)-4-(3-methylanilino)pyridin-1-ium-3-yl]sulfonyl-3-propan-2-ylurea chloride
CID 172970621
ethyl N-[[4-[3-(trifluoromethyl)anilino]-3-pyridinyl]sulfonyl]carbamate
CID 1214468
1-[(4-methyl-3-pyridinyl)sulfonyl]-3-propan-2-ylurea
CID 91248865

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea?
The IUPAC name of 1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea (CID 12655483) is 1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea.
What is the SMILES notation for 1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea?
The canonical SMILES for 1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea is Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea?
The InChIKey is NIAXRRNSFQVMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c1-19-9-8-14-22(17-19)28-23-15-16-27-18-24(23)34(32,33)30-26(31)29-25(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-18,25H,1H3,(H,27,28)(H2,29,30,31).
What are the key properties of 1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea?
1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea has a molecular weight of 472.57 g/mol, XLogP of 4.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-[[4-(3-methylanilino)-3-pyridinyl]sulfonyl]urea is sourced from PubChem (CID 12655483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).