N-(2-chloro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide

C14H18ClN3O2S — CID 106087626

IUPACN-(2-chloro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cc(C)ccc2Cl)cn1C
InChIInChI=1S/C14H18ClN3O2S/c1-10-4-5-13(15)14(6-10)17-21(19,20)12-7-11(8-16-2)18(3)9-12/h4-7,9,16-17H,8H2,1-3H3
InChIKeyRTCQJLBIRRDKEW-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.51
Rot. Bonds5

About N-(2-chloro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide

N-(2-chloro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide (PubChem CID 106087626) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
PubChem CID106087626
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC NameN-(2-chloro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2cc(C)ccc2Cl)cn1C
InChIInChI=1S/C14H18ClN3O2S/c1-10-4-5-13(15)14(6-10)17-21(19,20)12-7-11(8-16-2)18(3)9-12/h4-7,9,16-17H,8H2,1-3H3
InChIKeyRTCQJLBIRRDKEW-UHFFFAOYSA-N
XLogP2.51
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-iodophenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106006784
N-(3-fluoro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106070494
N-(3-fluorophenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106060661
N-(2-chloro-5-methylphenyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106087639
5-(aminomethyl)-N-(3-chloro-2-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106057318
N-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide
CID 107372024
1-chloro-N-(2-chloro-5-methylphenyl)methanesulfonamide
CID 107629601
1-methyl-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)pyrrole-3-sulfonamide
CID 106063695
3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid
CID 103768285
N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107630560
1-methyl-5-(methylaminomethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrrole-3-sulfonamide
CID 106062551
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106089797

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide (CID 106087626) is N-(2-chloro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2cc(C)ccc2Cl)cn1C.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
The InChIKey is RTCQJLBIRRDKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-10-4-5-13(15)14(6-10)17-21(19,20)12-7-11(8-16-2)18(3)9-12/h4-7,9,16-17H,8H2,1-3H3.
What are the key properties of N-(2-chloro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide?
N-(2-chloro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide has a molecular weight of 327.84 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106087626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).