N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide

C14H18ClN3O2S — CID 106060823

IUPACN-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)cn1C
InChIInChI=1S/C14H18ClN3O2S/c1-3-16-9-13-8-14(10-18(13)2)21(19,20)17-12-6-4-11(15)5-7-12/h4-8,10,16-17H,3,9H2,1-2H3
InChIKeyDKSWAYXZAFLHRC-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.59
Rot. Bonds6

About N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide

N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 106060823) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
PubChem CID106060823
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC NameN-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)cn1C
InChIInChI=1S/C14H18ClN3O2S/c1-3-16-9-13-8-14(10-18(13)2)21(19,20)17-12-6-4-11(15)5-7-12/h4-8,10,16-17H,3,9H2,1-2H3
InChIKeyDKSWAYXZAFLHRC-UHFFFAOYSA-N
XLogP2.59
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide
CID 106089796
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
5-(ethylaminomethyl)-1-methyl-N-(3-methylpentan-2-yl)pyrrole-3-sulfonamide
CID 106053812
N-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide
CID 107372024
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide
CID 106218661
N-(4-chlorophenyl)-4-(ethylsulfonylamino)benzenesulfonamide
CID 22202641
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)-1-methylpyrrole-3-sulfonamide
CID 106023600
N-(2-chloro-4-iodophenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106006784
3-[(4-chlorophenyl)sulfamoyl]-N-ethylbenzamide
CID 26637971
5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide
CID 106060831
N-(3-fluorophenyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106060661

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide (CID 106060823) is N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)cn1C.
What is the InChIKey of N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is DKSWAYXZAFLHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-3-16-9-13-8-14(10-18(13)2)21(19,20)17-12-6-4-11(15)5-7-12/h4-8,10,16-17H,3,9H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide?
N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 327.84 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-(ethylaminomethyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 106060823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).