5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride

C14H23ClN2O3S — CID 114611196

IUPAC5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
SMILESCCCn1cc(S(=O)(=O)Cl)cc1C(=O)N(C)CC(C)CC
InChIInChI=1S/C14H23ClN2O3S/c1-5-7-17-10-12(21(15,19)20)8-13(17)14(18)16(4)9-11(3)6-2/h8,10-11H,5-7,9H2,1-4H3
InChIKeyPINKUSWKLGYECD-UHFFFAOYSA-N
MW334.87 g/mol
LogP2.94
Rot. Bonds7

About 5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride

5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride (PubChem CID 114611196) has the molecular formula C14H23ClN2O3S and a molecular weight of 334.87 g/mol. Its IUPAC name is 5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
PubChem CID114611196
Molecular FormulaC14H23ClN2O3S
Molecular Weight334.87 g/mol
Exact Mass334.11
IUPAC Name5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
SMILESCCCn1cc(S(=O)(=O)Cl)cc1C(=O)N(C)CC(C)CC
InChIInChI=1S/C14H23ClN2O3S/c1-5-7-17-10-12(21(15,19)20)8-13(17)14(18)16(4)9-11(3)6-2/h8,10-11H,5-7,9H2,1-4H3
InChIKeyPINKUSWKLGYECD-UHFFFAOYSA-N
XLogP2.94
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
CID 114611119
1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611174
N-methyl-N-(3-methylbutyl)-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612236
5-(1-cyclopropylethylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611217
ethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 114611653
4-bromo-3-[methyl(2-methylbutyl)carbamoyl]benzenesulfonyl chloride
CID 65372268
5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366824
3-[(4-bromo-1-propylpyrrole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55008364
4-(2-methylbutylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 62693061
4-[methyl(2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 43644518
N-(cyclopropylmethyl)-N-methyl-1-propyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612217
5-(3-methylsulfinylpropylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611587

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride?
The IUPAC name of 5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride (CID 114611196) is 5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride is CCCn1cc(S(=O)(=O)Cl)cc1C(=O)N(C)CC(C)CC.
What is the InChIKey of 5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride?
The InChIKey is PINKUSWKLGYECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O3S/c1-5-7-17-10-12(21(15,19)20)8-13(17)14(18)16(4)9-11(3)6-2/h8,10-11H,5-7,9H2,1-4H3.
What are the key properties of 5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride?
5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride has a molecular weight of 334.87 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-methylbutyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).