N-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide

C19H15Cl2N3O4S2 — CID 25497195

IUPACN-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C19H15Cl2N3O4S2/c20-13-8-7-12(15(21)11-13)10-17(25)22-23-19(26)14-4-1-2-5-16(14)24-30(27,28)18-6-3-9-29-18/h1-9,11,24H,10H2,(H,22,25)(H,23,26)
InChIKeyDJIFWDYMZWSFLC-UHFFFAOYSA-N
MW484.39 g/mol
LogP3.86
Rot. Bonds6

About N-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide

N-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide (PubChem CID 25497195) has the molecular formula C19H15Cl2N3O4S2 and a molecular weight of 484.39 g/mol. Its IUPAC name is N-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
PubChem CID25497195
Molecular FormulaC19H15Cl2N3O4S2
Molecular Weight484.39 g/mol
Exact Mass482.99
IUPAC NameN-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C19H15Cl2N3O4S2/c20-13-8-7-12(15(21)11-13)10-17(25)22-23-19(26)14-4-1-2-5-16(14)24-30(27,28)18-6-3-9-29-18/h1-9,11,24H,10H2,(H,22,25)(H,23,26)
InChIKeyDJIFWDYMZWSFLC-UHFFFAOYSA-N
XLogP3.86
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 27698715
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N-[2-[[(2-methylcyclopropanecarbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 43016985
N-[2-[[(2-hydroxy-4-methylbenzoyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 30156853
N-[2-[[[3-(methoxymethyl)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 26248424
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2118005
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16539393
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 135679012
N-[2-[(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 27698726
N-[2-[[(3-methyl-1,2-oxazole-5-carbonyl)amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 31800733
2-(thiophen-2-ylsulfonylamino)benzamide
CID 769135
N-[2-[(quinoline-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide (CID 25497195) is N-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide is O=C(Cc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is DJIFWDYMZWSFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O4S2/c20-13-8-7-12(15(21)11-13)10-17(25)22-23-19(26)14-4-1-2-5-16(14)24-30(27,28)18-6-3-9-29-18/h1-9,11,24H,10H2,(H,22,25)(H,23,26).
What are the key properties of N-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide?
N-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 484.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[2-(2,4-dichlorophenyl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 25497195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).