3-[4-[(2,3-dimethylphenyl)sulfonylamino]phenyl]-1H-indole-2-carboxamide

C23H21N3O3S — CID 163561825

IUPAC3-[4-[(2,3-dimethylphenyl)sulfonylamino]phenyl]-1H-indole-2-carboxamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(-c3c(C(N)=O)[nH]c4ccccc34)cc2)c1C
InChIInChI=1S/C23H21N3O3S/c1-14-6-5-9-20(15(14)2)30(28,29)26-17-12-10-16(11-13-17)21-18-7-3-4-8-19(18)25-22(21)23(24)27/h3-13,25-26H,1-2H3,(H2,24,27)
InChIKeyFRVNLDLAZFSMHN-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.35
Rot. Bonds5

About 3-[4-[(2,3-dimethylphenyl)sulfonylamino]phenyl]-1H-indole-2-carboxamide

3-[4-[(2,3-dimethylphenyl)sulfonylamino]phenyl]-1H-indole-2-carboxamide (PubChem CID 163561825) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 3-[4-[(2,3-dimethylphenyl)sulfonylamino]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-[4-[(2,3-dimethylphenyl)sulfonylamino]phenyl]-1H-indole-2-carboxamide
PubChem CID163561825
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name3-[4-[(2,3-dimethylphenyl)sulfonylamino]phenyl]-1H-indole-2-carboxamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(-c3c(C(N)=O)[nH]c4ccccc34)cc2)c1C
InChIInChI=1S/C23H21N3O3S/c1-14-6-5-9-20(15(14)2)30(28,29)26-17-12-10-16(11-13-17)21-18-7-3-4-8-19(18)25-22(21)23(24)27/h3-13,25-26H,1-2H3,(H2,24,27)
InChIKeyFRVNLDLAZFSMHN-UHFFFAOYSA-N
XLogP4.35
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dichloro-N-[4-(2-methyl-1H-indol-3-yl)phenyl]benzenesulfonamide
CID 174552416
3-[4-[(3-fluoro-4-methylphenyl)carbamoylamino]phenyl]-1H-indole-2-carboxamide
CID 11545848
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187
3-(1-aminoethyl)-1H-indole-2-carboxamide
CID 163850890
1-N,2-N-bis(4-methylphenyl)benzene-1,2-disulfonamide
CID 23387080
2,6-dimethyl-3-[(4-phenylphenyl)sulfamoyl]benzoic acid
CID 20505965
2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 142887451
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
2-methyl-N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]benzenesulfonamide
CID 110735573
3-[4-[(3,4-dimethylphenyl)carbamoylamino]phenyl]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide
CID 11696970
sodium 4-[(2-methylphenyl)sulfonylamino]benzoate
CID 23687871
N-[4-[4-[(2-methylphenyl)sulfonylamino]anilino]phenyl]acetamide
CID 112988408

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2,3-dimethylphenyl)sulfonylamino]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-[4-[(2,3-dimethylphenyl)sulfonylamino]phenyl]-1H-indole-2-carboxamide (CID 163561825) is 3-[4-[(2,3-dimethylphenyl)sulfonylamino]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-[4-[(2,3-dimethylphenyl)sulfonylamino]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-[4-[(2,3-dimethylphenyl)sulfonylamino]phenyl]-1H-indole-2-carboxamide is Cc1cccc(S(=O)(=O)Nc2ccc(-c3c(C(N)=O)[nH]c4ccccc34)cc2)c1C.
What is the InChIKey of 3-[4-[(2,3-dimethylphenyl)sulfonylamino]phenyl]-1H-indole-2-carboxamide?
The InChIKey is FRVNLDLAZFSMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-14-6-5-9-20(15(14)2)30(28,29)26-17-12-10-16(11-13-17)21-18-7-3-4-8-19(18)25-22(21)23(24)27/h3-13,25-26H,1-2H3,(H2,24,27).
What are the key properties of 3-[4-[(2,3-dimethylphenyl)sulfonylamino]phenyl]-1H-indole-2-carboxamide?
3-[4-[(2,3-dimethylphenyl)sulfonylamino]phenyl]-1H-indole-2-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2,3-dimethylphenyl)sulfonylamino]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 163561825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).