1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea

C15H13ClN4O3S2 — CID 46382418

IUPAC1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea
SMILESCS(=O)(=O)Nc1nc2ccc(NC(=O)Nc3ccccc3Cl)cc2s1
InChIInChI=1S/C15H13ClN4O3S2/c1-25(22,23)20-15-19-12-7-6-9(8-13(12)24-15)17-14(21)18-11-5-3-2-4-10(11)16/h2-8H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyKRMJBGKHEWXODJ-UHFFFAOYSA-N
MW396.88 g/mol
LogP3.97
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea

1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea (PubChem CID 46382418) has the molecular formula C15H13ClN4O3S2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea
PubChem CID46382418
Molecular FormulaC15H13ClN4O3S2
Molecular Weight396.88 g/mol
Exact Mass396.01
IUPAC Name1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea
SMILESCS(=O)(=O)Nc1nc2ccc(NC(=O)Nc3ccccc3Cl)cc2s1
InChIInChI=1S/C15H13ClN4O3S2/c1-25(22,23)20-15-19-12-7-6-9(8-13(12)24-15)17-14(21)18-11-5-3-2-4-10(11)16/h2-8H,1H3,(H,19,20)(H2,17,18,21)
InChIKeyKRMJBGKHEWXODJ-UHFFFAOYSA-N
XLogP3.97
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46325782
1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(3-chloro-4-methylphenyl)urea
CID 46382550
1-(3,4-dimethoxyphenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea
CID 46382427
1-(3,4-dichlorophenyl)-3-[2-(naphthalen-2-ylsulfonylamino)-1,3-benzothiazol-6-yl]urea
CID 162395553
2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide
CID 46291167
1-(5-chloro-2-methoxyphenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-5-yl]urea
CID 46382087
1-(2,4-dimethylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382482
2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 55350812
1-(3-methylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382480
2-[[6-[(2-chlorophenyl)carbamoylamino]-1,3-benzothiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 46268724
1-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-3-(3-methylsulfanylphenyl)urea
CID 46382534
N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide
CID 50765778

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea (CID 46382418) is 1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea is CS(=O)(=O)Nc1nc2ccc(NC(=O)Nc3ccccc3Cl)cc2s1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea?
The InChIKey is KRMJBGKHEWXODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3S2/c1-25(22,23)20-15-19-12-7-6-9(8-13(12)24-15)17-14(21)18-11-5-3-2-4-10(11)16/h2-8H,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea?
1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea has a molecular weight of 396.88 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea is sourced from PubChem (CID 46382418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).