N-(cyclopropylmethyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide

C14H20N2O4S2 — CID 652432

IUPACN-(cyclopropylmethyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C14H20N2O4S2/c17-21(18,15-11-12-6-7-12)13-4-3-5-14(10-13)22(19,20)16-8-1-2-9-16/h3-5,10,12,15H,1-2,6-9,11H2
InChIKeySVSUTJNMQZHAAH-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.16
Rot. Bonds6

About N-(cyclopropylmethyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide

N-(cyclopropylmethyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 652432) has the molecular formula C14H20N2O4S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
PubChem CID652432
Molecular FormulaC14H20N2O4S2
Molecular Weight344.46 g/mol
Exact Mass344.09
IUPAC NameN-(cyclopropylmethyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NCC1CC1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C14H20N2O4S2/c17-21(18,15-11-12-6-7-12)13-4-3-5-14(10-13)22(19,20)16-8-1-2-9-16/h3-5,10,12,15H,1-2,6-9,11H2
InChIKeySVSUTJNMQZHAAH-UHFFFAOYSA-N
XLogP1.16
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyano-3-pyrrolidinyl)methyl]benzenesulfonamide
CID 10515827
N-(cyclopropylmethyl)benzenesulfonamide
CID 31811958
N-Butyl-3-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 645283
N-Cyclopropyl-3-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 647250
4-N-(cyclopropylmethyl)-4-N-propylbenzene-1,4-disulfonamide
CID 717987
4-Methyl-1-[3-(pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 1435631
4-(Pyrrolidin-1-ylsulfonyl)benzenesulfonamide
CID 788064
N,N-Dimethyl-4-(pyrrolidine-1-sulfonyl)-benzenesulfonamide
CID 859907
N,N-Diethyl-4-(pyrrolidine-1-sulfonyl)benzenesulfonamide
CID 859908
Benzenesulfonamide, N-(4-(1-pyrrolidinyl)-2-butynyl)-, monohydrochloride
CID 204722
3-(Pyrrolidine-1-sulfonyl)benzene-1-sulfonyl chloride
CID 16228383
1-[3-(Pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 1435634

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide (CID 652432) is N-(cyclopropylmethyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide is O=S(=O)(NCC1CC1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is SVSUTJNMQZHAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S2/c17-21(18,15-11-12-6-7-12)13-4-3-5-14(10-13)22(19,20)16-8-1-2-9-16/h3-5,10,12,15H,1-2,6-9,11H2.
What are the key properties of N-(cyclopropylmethyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
N-(cyclopropylmethyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 344.46 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 652432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).