N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

C12H13Cl2N3O2S — CID 106058909

IUPACN-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c[nH]1
InChIInChI=1S/C12H13Cl2N3O2S/c1-15-6-11-5-12(7-16-11)20(18,19)17-10-3-8(13)2-9(14)4-10/h2-5,7,15-17H,6H2,1H3
InChIKeyVTYSVVCQAKJWKM-UHFFFAOYSA-N
MW334.23 g/mol
LogP2.84
Rot. Bonds5

About N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide

N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106058909) has the molecular formula C12H13Cl2N3O2S and a molecular weight of 334.23 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
PubChem CID106058909
Molecular FormulaC12H13Cl2N3O2S
Molecular Weight334.23 g/mol
Exact Mass333.01
IUPAC NameN-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c[nH]1
InChIInChI=1S/C12H13Cl2N3O2S/c1-15-6-11-5-12(7-16-11)20(18,19)17-10-3-8(13)2-9(14)4-10/h2-5,7,15-17H,6H2,1H3
InChIKeyVTYSVVCQAKJWKM-UHFFFAOYSA-N
XLogP2.84
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058974
N-(4-chloro-3-fluorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106004740
N-(4-chlorophenyl)-5-[(propan-2-ylamino)methyl]-1H-pyrrole-3-sulfonamide
CID 106060794
N-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106053269
5-(methylaminomethyl)-N-(1,3,4-thiadiazol-2-yl)-1H-pyrrole-3-sulfonamide
CID 106081043
N-(cyclobutylmethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106024324
N-(2-bromo-4-methylphenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106042562
N-(1-cyclobutylethyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 114142335
5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106061783
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106066981
5-(methylaminomethyl)-N-(4-methylsulfanylbutyl)-1H-pyrrole-3-sulfonamide
CID 106078000
5-(ethylaminomethyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrrole-3-sulfonamide
CID 106056158

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide (CID 106058909) is N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c[nH]1.
What is the InChIKey of N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is VTYSVVCQAKJWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2S/c1-15-6-11-5-12(7-16-11)20(18,19)17-10-3-8(13)2-9(14)4-10/h2-5,7,15-17H,6H2,1H3.
What are the key properties of N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide?
N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 334.23 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106058909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).